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Home > Pyridines > 312626-57-6
312626-57-6 | 14-phenyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
CAS No: 312626-57-6 Catalog No: AG00IZXQ MDL No:MFCD00129576
Product Description
Catalog Number:
AG00IZXQ
Chemical Name:
14-phenyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
CAS Number:
312626-57-6
Molecular Formula:
C24H21N3O
Molecular Weight:
367.4430
MDL Number:
MFCD00129576
IUPAC Name:
9-phenyl-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
InChI:
InChI=1S/C24H21N3O/c28-22-14-18(16-7-2-1-3-8-16)13-21-23(22)24(17-9-6-12-25-15-17)27-20-11-5-4-10-19(20)26-21/h1-12,15,18,24,26-27H,13-14H2
InChI Key:
GYJVSRHQFCTWSW-UHFFFAOYSA-N
SMILES:
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cccnc1)c1ccccc1
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.168g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.452g/mol
Monoisotopic Mass:
367.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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