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Home > Pyridines > 1020251-80-2
1020251-80-2 | 6,14,14-trimethyl-10-(pyridin-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
CAS No: 1020251-80-2 Catalog No: AG00IX67 MDL No:MFCD00170016
Product Description
Catalog Number:
AG00IX67
Chemical Name:
6,14,14-trimethyl-10-(pyridin-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
CAS Number:
1020251-80-2
Molecular Formula:
C21H23N3O
Molecular Weight:
333.4268
MDL Number:
MFCD00170016
IUPAC Name:
3,9,9-trimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
InChI:
InChI=1S/C21H23N3O/c1-13-7-8-14-16(10-13)24-20(15-6-4-5-9-22-15)19-17(23-14)11-21(2,3)12-18(19)25/h4-10,20,23-24H,11-12H2,1-3H3
InChI Key:
ADXGKBPDKFJOLL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)NC(c1ccccn1)C1=C(N2)CC(CC1=O)(C)C
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.435g/mol
Monoisotopic Mass:
333.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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