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18878-17-6 | 2H-1,4-Benzodiazepin-2-one, 1-acetyl-3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-
CAS No: 18878-17-6 Catalog No: AG002HB0 MDL No:
Product Description
Catalog Number:
AG002HB0
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1-acetyl-3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-
CAS Number:
18878-17-6
Molecular Formula:
C19H14Cl2N2O4
Molecular Weight:
405.2315
IUPAC Name:
[1-acetyl-7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate
InChI:
InChI=1S/C19H14Cl2N2O4/c1-10(24)23-16-8-7-12(20)9-14(16)17(13-5-3-4-6-15(13)21)22-18(19(23)26)27-11(2)25/h3-9,18H,1-2H3
InChI Key:
YDFQQMIIYCLLNJ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1N=C(c2c(N(C1=O)C(=O)C)ccc(c2)Cl)c1ccccc1Cl
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.033g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.231g/mol
Monoisotopic Mass:
404.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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