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4700-56-5 | (7-Chloro-2,3-Dihydro-2-Oxo-5-Phenyl-1H-Benzo-1,4-Diazepin-3-Yl) Hydrogen Succinate
CAS No: 4700-56-5 Catalog No: AG0035FW MDL No:
Product Description
Catalog Number:
AG0035FW
Chemical Name:
(7-Chloro-2,3-Dihydro-2-Oxo-5-Phenyl-1H-Benzo-1,4-Diazepin-3-Yl) Hydrogen Succinate
CAS Number:
4700-56-5
Molecular Formula:
C19H15ClN2O5
Molecular Weight:
386.7858
IUPAC Name:
4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C19H15ClN2O5/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24)
InChI Key:
UCUOKZUJHTYPJT-UHFFFAOYSA-N
SMILES:
O=C(OC1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl)CCC(=O)O
EC Number:
225-175-2
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.788g/mol
Monoisotopic Mass:
386.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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