Isopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydrothien-3-yl]ureido}-benzoate

HCID 20130628

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

Related reactions

4 records

Compound notes

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