N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-(2-methyl-3-nitrophenyl)urea
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-(2-methyl-3-nitrophenyl)urea
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-(2-methyl-3-nitrophenyl)urea
Compound characteristics
| Compound ID: | C270-0586 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-(2-methyl-3-nitrophenyl)urea |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(NCCN1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9751 |
| logD: | 2.0869 |
| logSw: | -3.3825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.874 |
| InChI Key: | PNBPUYVIHMDVEB-UHFFFAOYSA-N |