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178870-09-2 | Benzoic acid, 2-chloro-5-[(2-methoxybenzoyl)amino]-, cyclopentyl ester
CAS No: 178870-09-2 Catalog No: AG0026F2 MDL No:
Product Description
Catalog Number:
AG0026F2
Chemical Name:
Benzoic acid, 2-chloro-5-[(2-methoxybenzoyl)amino]-, cyclopentyl ester
CAS Number:
178870-09-2
Molecular Formula:
C20H20ClNO4
Molecular Weight:
373.8301
IUPAC Name:
cyclopentyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
InChI:
InChI=1S/C20H20ClNO4/c1-25-18-9-5-4-8-15(18)19(23)22-13-10-11-17(21)16(12-13)20(24)26-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,22,23)
InChI Key:
HMKTWSFUMBEBMP-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)Nc1ccc(c(c1)C(=O)OC1CCCC1)Cl
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.108g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.833g/mol
Monoisotopic Mass:
373.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations. | Journal of medicinal chemistry 20020704 |
| Identification of novel thiocarboxanilide derivatives that suppress a variety of drug-resistant mutant human immunodeficiency virus type 1 strains at a potency similar to that for wild-type virus. | Antimicrobial agents and chemotherapy 19960601 |
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