N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea
N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | V024-2418 |
| Compound Name: | N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-[4-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C26 H25 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(ccc1OC)c1ccc(CNC(Nc2ccc(cc2)SC)=O)c2cnccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.3526 |
| logD: | 6.3526 |
| logSw: | -5.4391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.469 |
| InChI Key: | LMVZWFQDKSNIRE-UHFFFAOYSA-N |