methyl 2-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D356-0396 |
| Compound Name: | methyl 2-{[1-(phenylmethanesulfonyl)piperidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 476.61 |
| Molecular Formula: | C23 H28 N2 O5 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1CCN(CC1)S(Cc1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1893 |
| logD: | 0.4191 |
| logSw: | -3.523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.824 |
| InChI Key: | OPTBZEQLUHIUEE-UHFFFAOYSA-N |