methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0441 |
| Compound Name: | methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 583.6 |
| Molecular Formula: | C25 H24 F3 N3 O6 S2 |
| Smiles: | COC(c1c2CCCc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9137 |
| logD: | 0.7546 |
| logSw: | -4.3423 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.887 |
| InChI Key: | BDDLPCAEMPMDRE-UHFFFAOYSA-N |