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296246-64-5 | 10-(1H-indol-3-yl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
CAS No: 296246-64-5 Catalog No: AG00ITBN MDL No:MFCD00170315
Product Description
Catalog Number:
AG00ITBN
Chemical Name:
10-(1H-indol-3-yl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
CAS Number:
296246-64-5
Molecular Formula:
C23H23N3O
Molecular Weight:
357.4482
MDL Number:
MFCD00170315
IUPAC Name:
6-(1H-indol-3-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
InChI:
InChI=1S/C23H23N3O/c1-23(2)11-19-21(20(27)12-23)22(26-18-10-6-5-9-17(18)25-19)15-13-24-16-8-4-3-7-14(15)16/h3-10,13,22,24-26H,11-12H2,1-2H3
InChI Key:
LTNCYQFXOBZKNO-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1c[nH]c2c1cccc2
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
357.457g/mol
Monoisotopic Mass:
357.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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