methyl 2-chloro-5-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}benzoate
methyl 2-chloro-5-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D356-0421 |
| Compound Name: | methyl 2-chloro-5-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | COC(c1cc(ccc1[Cl])NC(C1CCN(CC1)S(Cc1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0345 |
| logD: | 3.0324 |
| logSw: | -3.6855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.109 |
| InChI Key: | AQYNHLHZWUJHQT-UHFFFAOYSA-N |