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Home > Pyridines > 851264-58-9
851264-58-9 | 10-(2-furyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
CAS No: 851264-58-9 Catalog No: AG00J9CO MDL No:MFCD08547707
Product Description
Catalog Number:
AG00J9CO
Chemical Name:
10-(2-furyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
CAS Number:
851264-58-9
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
MDL Number:
MFCD08547707
IUPAC Name:
6-(furan-2-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
InChI:
InChI=1S/C18H19N3O2/c1-18(2)9-12-15(13(22)10-18)16(14-6-4-8-23-14)21-17-11(20-12)5-3-7-19-17/h3-8,16,20H,9-10H2,1-2H3,(H,19,21)
InChI Key:
IEJPXEUAPVBZRP-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccn1)c1ccco1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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