N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-(4-nitrophenyl)urea
Chemical Structure Depiction of
N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-(4-nitrophenyl)urea
N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-(4-nitrophenyl)urea
Compound characteristics
| Compound ID: | V025-6604 |
| Compound Name: | N-{[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl}-N'-(4-nitrophenyl)urea |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(ccc1OC)c1ccc(CNC(Nc2ccc(cc2)[N+]([O-])=O)=O)c2cnccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.559 |
| logD: | 5.5589 |
| logSw: | -5.3872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.85 |
| InChI Key: | UHDZNTZJAYLUMM-UHFFFAOYSA-N |