Basic information
- CAS
581811-51-0- Standard SMILES
Cc1cc2c(NC(=O)NCc3ccc(Cl)c(Cl)c3)cccc2cn1- InChIKey
QFCGMXXOYDQCRM-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O
- Average molar mass
- 360.2 g/mol
- Monoisotopic mass
- 359.05921746
Names & identifiers
- Preferred name
- N-(3,4-dichlorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea
Names & synonyms
N-(3,4-dichlorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea581811-51-0SCHEMBL4022939DTXSID90433964QFCGMXXOYDQCRM-UHFFFAOYSA-NN-[(3,4-Dichlorophenyl)methyl]-N'-(3-methylisoquinolin-5-yl)urea
Database identifiers
- CAS
581811-51-0- PubChem CID
- 9998596
- DTXSID
DTXSID90433964
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
4 records
Compound notes
Loading…