Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

Benzoic acid esters

Organic compounds


Benzene and substituted derivatives

Benzoic acids and derivatives

Calculated Property

kind Value Source
logP 3.5 ALOGPS
logS -4.2 ALOGPS
Water Solubility 2.13e-02 g/l ALOGPS
logP 2.89 ChemAxon
IUPAC Name propan-2-yl 2-chloro-5-(2-methyl-5,6-dihydro-1,4-oxathiine-3-amido)benzoate ChemAxon
Traditional IUPAC Name isopropyl 2-chloro-5-(2-methyl-5,6-dihydro-1,4-oxathiine-3-amido)benzoate ChemAxon
Molecular Weight 355.836 ChemAxon
Monoisotopic Weight 355.064506466 ChemAxon
SMILES CC(C)OC(=O)C1=C(Cl)C=CC(NC(=O)C2=C(C)OCCS2)=C1 ChemAxon
Molecular Formula C16H18ClNO4S ChemAxon
InChI InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19) ChemAxon
Polar Surface Area (PSA) 64.63 ChemAxon
Refractivity 95.09 ChemAxon
Polarizability 36.18 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 12.89 ChemAxon
pKa (strongest basic) -2.1 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Gag-Pol polyprotein : in HIV-1