Basic information
- Standard SMILES
Cc1c(-c2ccccc2)oc2c(NC(=O)NCCCl)cccc2c1=O- InChIKey
ZGFSYINSKCEXHH-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O3
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.0927701
Names & identifiers
- Preferred name
- 8-(2-chloroethylureido)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
- IUPAC
- 1-(2-chloroethyl)-3-(3-methyl-4-oxo-2-phenylchromen-8-yl)urea
Names & synonyms
SCHEMBL8876972ZGFSYINSKCEXHH-UHFFFAOYSA-N8-(2-chloroethylureido)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
Database identifiers
- PubChem CID
- 67714712
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 543
Related reactions
4 records
Compound notes
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