4-anilino-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide
Chemical Structure Depiction of
4-anilino-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide
4-anilino-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide
Compound characteristics
| Compound ID: | G582-2813 |
| Compound Name: | 4-anilino-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C23 H20 N4 O S |
| Smiles: | CSc1ccc(CNC(c2nc(c3ccccc3n2)Nc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1691 |
| logD: | 5.1691 |
| logSw: | -5.2253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.49 |
| InChI Key: | NJPQFZDKXDZWMO-UHFFFAOYSA-N |