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137731-09-0 | 4H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepin-5-amine, N,N-dibutyl-
CAS No: 137731-09-0 Catalog No: AG0013RX MDL No:
Product Description
Catalog Number:
AG0013RX
Chemical Name:
4H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepin-5-amine, N,N-dibutyl-
CAS Number:
137731-09-0
Molecular Formula:
C18H25N5
Molecular Weight:
311.4246
IUPAC Name:
N,N-dibutyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
InChI:
InChI=1S/C18H25N5/c1-3-5-11-22(12-6-4-2)17-13-18-21-19-14-23(18)16-10-8-7-9-15(16)20-17/h7-10,14H,3-6,11-13H2,1-2H3
InChI Key:
ZREDQPSOMJADFR-UHFFFAOYSA-N
SMILES:
CCCCN(C1=Nc2ccccc2n2c(C1)nnc2)CCCC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.433g/mol
Monoisotopic Mass:
311.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| 1,5-Benzodiazepine tricyclic derivatives exerting anti-inflammatory effects in mice by inhibiting interleukin-6 and prostaglandinE(2)production. | Pharmacological research 20010501 |
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