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192189-26-7 | 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-2-(5-methoxy-1H-indol-3-yl)-5-methyl-
CAS No: 192189-26-7 Catalog No: AG002FPW MDL No:
Product Description
Catalog Number:
AG002FPW
Chemical Name:
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-2-(5-methoxy-1H-indol-3-yl)-5-methyl-
CAS Number:
192189-26-7
Molecular Formula:
C23H21N5O2
Molecular Weight:
399.4451
IUPAC Name:
2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
InChI:
InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
InChI Key:
FAUYKFLHHWFNGE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)c1ccc2c(n1)n(CC)c1ncccc1c(=O)n2C
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.17g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.454g/mol
Monoisotopic Mass:
399.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 reverse transcriptase. 6. 2-Indol-3-yl- and 2-azaindol-3-yl-dipyridodiazepinones. | Journal of medicinal chemistry 19970718 |
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