butyl 4-{[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]amino}benzoate
butyl 4-{[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D356-0218 |
| Compound Name: | butyl 4-{[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C21 H26 N2 O5 S2 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C1CCN(CC1)S(c1cccs1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9388 |
| logD: | 3.9384 |
| logSw: | -3.811 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.107 |
| InChI Key: | JCQRZPJCHOHHRP-UHFFFAOYSA-N |