Basic information
- Standard SMILES
CCOC(=O)C1=C(NC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CCCC1- InChIKey
ZPNCGIOHTUUOEA-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O5
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.1295495
Names & identifiers
- Preferred name
- Ethyl 2-chloro-5-{3-[2-(ethoxycarbonyl)-1-cyclohexen-1-yl]ureido}-benzoate
- IUPAC
- ethyl 2-chloro-5-[(2-ethoxycarbonylcyclohexen-1-yl)carbamoylamino]benzoate
Names & synonyms
SCHEMBL10645204ZPNCGIOHTUUOEA-UHFFFAOYSA-Nethyl 2-chloro-5-{3-[2-(ethoxycarbonyl)-1-cyclohexen-1-yl]ureido}-benzoate
Database identifiers
- PubChem CID
- 20130639
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Compound notes
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