methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0086 |
| Compound Name: | methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 307.3 |
| Molecular Formula: | C14 H17 N3 O5 |
| Smiles: | CN1CCN(CC1)C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9705 |
| logD: | 0.8398 |
| logSw: | -1.4478 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.919 |
| InChI Key: | WAFVDTBHORAOJO-UHFFFAOYSA-N |