Basic information
- Standard SMILES
COC(=O)CCSCc1ccc(-c2nocc2NC(=O)OC(C)c2ccccc2Cl)cc1- InChIKey
CMYCGBYGZDLIPD-UHFFFAOYSA-N- Molecular formula
- C23H23ClN2O5S
- Average molar mass
- 475 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionate
- IUPAC
- methyl 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoate
Names & synonyms
SCHEMBL4020507CMYCGBYGZDLIPD-UHFFFAOYSA-Nmethyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionatemethyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionoate
Database identifiers
- PubChem CID
- 11454331
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 605
Related reactions
7 records
Compound notes
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