methyl 4,5-dimethyl-2-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carbonyl]amino}thiophene-3-carboxylate
methyl 4,5-dimethyl-2-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K783-6565 |
| Compound Name: | methyl 4,5-dimethyl-2-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCC(=CC1)C(Nc1c(C(=O)OC)c(C)c(C)s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0398 |
| logD: | 0.1282 |
| logSw: | -4.2136 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.009 |
| InChI Key: | BAWBUOJLJBTYFZ-UHFFFAOYSA-N |