methyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D356-2072 |
| Compound Name: | methyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 494.6 |
| Molecular Formula: | C23 H27 F N2 O5 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1CCN(CC1)S(Cc1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2184 |
| logD: | 0.4481 |
| logSw: | -3.6558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.824 |
| InChI Key: | YDTKPTJGUFBEQO-UHFFFAOYSA-N |