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100724-01-4 | 2H-1,5-Benzodiazepin-2-one, 4-(2-furanyl)-1,3,4,5-tetrahydro-
CAS No: 100724-01-4 Catalog No: AG0002QH MDL No:
Product Description
Catalog Number:
AG0002QH
Chemical Name:
2H-1,5-Benzodiazepin-2-one, 4-(2-furanyl)-1,3,4,5-tetrahydro-
CAS Number:
100724-01-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
2-(furan-2-yl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
InChI:
InChI=1S/C13H12N2O2/c16-13-8-11(12-6-3-7-17-12)14-9-4-1-2-5-10(9)15-13/h1-7,11,14H,8H2,(H,15,16)
InChI Key:
IQRBWQPAXKMYBF-UHFFFAOYSA-N
SMILES:
O=C1CC(Nc2c(N1)cccc2)c1ccco1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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