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76132-30-4 | 7,7-dimethyl-10-pyridin-3-yl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
CAS No: 76132-30-4 Catalog No: AG00J9CQ MDL No:MFCD08547724
Product Description
Catalog Number:
AG00J9CQ
Chemical Name:
7,7-dimethyl-10-pyridin-3-yl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
CAS Number:
76132-30-4
Molecular Formula:
C19H20N4O
Molecular Weight:
320.3883
MDL Number:
MFCD08547724
IUPAC Name:
9,9-dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
InChI:
InChI=1S/C19H20N4O/c1-19(2)9-14-16(15(24)10-19)17(12-5-3-7-20-11-12)23-18-13(22-14)6-4-8-21-18/h3-8,11,17,22H,9-10H2,1-2H3,(H,21,23)
InChI Key:
CSPPQBBNJPWSMK-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccn1)c1cccnc1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.396g/mol
Monoisotopic Mass:
320.164g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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