methyl 2-[(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G637-0662 |
| Compound Name: | methyl 2-[(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 583.73 |
| Molecular Formula: | C29 H33 N3 O6 S2 |
| Smiles: | Cc1ccc(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8153 |
| logD: | 2.045 |
| logSw: | -4.623 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.445 |
| InChI Key: | CEJCYLWYMFORRS-UHFFFAOYSA-N |