methyl 2-({1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D356-1059 |
| Compound Name: | methyl 2-({1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C24 H30 N2 O5 S2 |
| Smiles: | Cc1ccc(CS(N2CCC(CC2)C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6127 |
| logD: | 0.8424 |
| logSw: | -3.8221 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.824 |
| InChI Key: | NHRQHWIBMAXWBS-UHFFFAOYSA-N |