Basic information
- Standard SMILES
COC(=O)C1=C(NC(=O)Nc2cc(C(=O)OC(C)C)c(Cl)cc2F)CSC1- InChIKey
CMVOVZYINZSVNV-UHFFFAOYSA-N- Molecular formula
- C17H18ClFN2O5S
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.0608987
Names & identifiers
- Preferred name
- Isopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydrothien-3-yl]ureido}-benzoate
- IUPAC
- methyl 4-[(4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylate
Names & synonyms
SCHEMBL10645407CMVOVZYINZSVNV-UHFFFAOYSA-Nisopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydro-thien-3-yl]ureido}-benzoateisopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydrothien-3-yl]ureido}-benzoate
Database identifiers
- PubChem CID
- 20130628
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 630
Related reactions
4 records
Compound notes
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