methyl 3-{[4-(4-methylpiperidine-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(4-methylpiperidine-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(4-methylpiperidine-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-2590 |
| Compound Name: | methyl 3-{[4-(4-methylpiperidine-1-sulfonyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | CC1CCN(CC1)S(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7085 |
| logD: | 3.3048 |
| logSw: | -4.0577 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.596 |
| InChI Key: | CTQWUJMIRDIDKI-UHFFFAOYSA-N |