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Home > Indoles and Oxindole > 1155555-12-6
1155555-12-6 | 2-(4-methyl-1,4-diazepane-1-carbonyl)-1H-indole
CAS No: 1155555-12-6 Catalog No: AG01AH3H MDL No:MFCD12740047
Product Description
Catalog Number:
AG01AH3H
Chemical Name:
2-(4-methyl-1,4-diazepane-1-carbonyl)-1H-indole
CAS Number:
1155555-12-6
Molecular Formula:
C15H19N3O
Molecular Weight:
257.3309
MDL Number:
MFCD12740047
IUPAC Name:
1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
InChI:
InChI=1S/C15H19N3O/c1-17-7-4-8-18(10-9-17)15(19)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,11,16H,4,7-10H2,1H3
InChI Key:
JEAOOJVVTOKESY-UHFFFAOYSA-N
SMILES:
CN1CCCN(CC1)C(=O)c1cc2c([nH]1)cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.337g/mol
Monoisotopic Mass:
257.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Detailed structure-activity relationship of indolecarboxamides as H4 receptor ligands. | European journal of medicinal chemistry 20120801 |
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