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Basic information
- Standard SMILES
O=C1COc2c(cccc2NC(=O)NCc2ccc(Cl)cc2)N1- InChIKey
RHPLHWXALHFFEE-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O3
- Average molar mass
- 331.75 g/mol
- Monoisotopic mass
- 331.072369
Names & identifiers
- Preferred name
- 1-(4-chlorobenzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
- IUPAC
- 1-[(4-chlorophenyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
Names & synonyms
SCHEMBL2481214RHPLHWXALHFFEE-UHFFFAOYSA-N1-(4-chlorobenzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
Database identifiers
- PubChem CID
- 53476473
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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