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264-66-4 | 3H-1,3,4-Benzotriazepine
CAS No: 264-66-4 Catalog No: AG002T24 MDL No:
Product Description
Catalog Number:
AG002T24
Chemical Name:
3H-1,3,4-Benzotriazepine
CAS Number:
264-66-4
Molecular Formula:
C8H7N3
Molecular Weight:
145.1613
IUPAC Name:
3H-1,3,4-benzotriazepine
InChI:
InChI=1S/C8H7N3/c1-2-4-8-7(3-1)5-10-11-6-9-8/h1-6H,(H,9,11)
InChI Key:
POAFTJNORJRQAU-UHFFFAOYSA-N
SMILES:
N1C=Nc2c(C=N1)cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.165g/mol
Monoisotopic Mass:
145.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Toward the identification of a reliable 3D QSAR pharmacophore model for the CCK2 receptor antagonism. | Journal of chemical information and modeling 20120525 |
| 3D QSAR studies of 1,3,4-benzotriazepine derivatives as CCK2 receptor antagonists. | Journal of molecular graphics & modelling 20081101 |
| Discovery and characterization of novel, potent, non-peptide parathyroid hormone-1 receptor antagonists. | Journal of medicinal chemistry 20071004 |
| Novel, achiral 1,3,4-benzotriazepine analogues of 1,4-benzodiazepine-based CCK(2) antagonists that display high selectivity over CCK(1) receptors. | Journal of medicinal chemistry 20060406 |
| Syntheses of fused heterocyclic compounds and their inhibitory activities for squalene synthase. | Bioorganic & medicinal chemistry 20020201 |
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