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7468-51-1 | 2-cyclohexyl-10-phenyl-1,9,10,10a-tetrahydropyrrolo[3,4-b][1,5]benzodiazepin-3(2h)-one
CAS No: 7468-51-1 Catalog No: AG005IFL MDL No:
Product Description
Catalog Number:
AG005IFL
Chemical Name:
2-cyclohexyl-10-phenyl-1,9,10,10a-tetrahydropyrrolo[3,4-b][1,5]benzodiazepin-3(2h)-one
CAS Number:
7468-51-1
Molecular Formula:
C23H25N3O
Molecular Weight:
359.4641
IUPAC Name:
2-cyclohexyl-4-phenyl-3,3a,4,5-tetrahydropyrrolo[3,4-c][1,5]benzodiazepin-1-one
InChI:
InChI=1S/C23H25N3O/c27-23-22-18(15-26(23)17-11-5-2-6-12-17)21(16-9-3-1-4-10-16)24-19-13-7-8-14-20(19)25-22/h1,3-4,7-10,13-14,17-18,21,24H,2,5-6,11-12,15H2
InChI Key:
YAPSTEUBGXDQLL-UHFFFAOYSA-N
SMILES:
O=C1N(CC2C1=Nc1ccccc1NC2c1ccccc1)C1CCCCC1
NSC Number:
55183
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.2g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.473g/mol
Monoisotopic Mass:
359.2g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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