Benzoic acid, 2-chloro-5-(((2-methoxyphenyl)thioxomethyl)amino)-, cyclopentyl ester
Basic information
- CAS
135813-04-6- Standard SMILES
COc1ccccc1C(=S)Nc1ccc(Cl)c(C(=O)OC2CCCC2)c1- InChIKey
NTKKGOUYTCUFDH-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO3S
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.0852424
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-methoxyphenyl)thioxomethyl)amino)-, cyclopentyl ester
- IUPAC
- cyclopentyl 2-chloro-5-[(2-methoxybenzenecarbothioyl)amino]benzoate
Names & synonyms
135813-04-6Benzoic acid, 2-chloro-5-(((2-methoxyphenyl)thioxomethyl)amino)-, cyclopentyl esterCyclopentyl 2-chloro-5-(((2-methoxyphenyl)thioxomethyl)amino)benzoateCyclopentyl 2-chloro-5-{[(2-methoxyphenyl)thioxomethyl]amino}benzoateBenzoic acid, 2-chloro-5-[[(2-methoxyphenyl)thioxomethyl]amino]-, cyclopentyl estercyclopentyl 2-chloro-5-[(2-methoxybenzenecarbothioyl)amino]benzoateDTXSID30159555Cyclopentyl 2-chloro-5-[(2-methoxybenzene-1-carbothioyl)amino]benzoate
Database identifiers
- CAS
135813-04-6- PubChem CID
- 3000981
- DTXSID
DTXSID30159555
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
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Compound notes
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