3-(4-Chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
Basic information
- CAS
6128-13-8- Standard SMILES
COc1ccc(CN(Cc2cccc(OC)c2OC)C(=S)Nc2ccc(Cl)cc2)cc1- InChIKey
CZGBTLQTUUPHPW-UHFFFAOYSA-N- Molecular formula
- C24H25ClN2O3S
- Average molar mass
- 457 g/mol
- Monoisotopic mass
- 456.1274415
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
- IUPAC
- 3-(4-chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
Names & synonyms
6128-13-83-(4-chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thioureaDTXSID20411134N'-(4-Chlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]thiourea
Database identifiers
- CAS
6128-13-8- PubChem CID
- 5222202
- DTXSID
DTXSID20411134
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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