propan-2-yl 5-carbamoyl-4-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-carbamoyl-4-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate
propan-2-yl 5-carbamoyl-4-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0673 |
| Compound Name: | propan-2-yl 5-carbamoyl-4-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate |
| Molecular Weight: | 604.65 |
| Molecular Formula: | C23 H23 F3 N4 O6 S3 |
| Smiles: | CC(C)OC(c1c(C)c(C(N)=O)sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2673 |
| logD: | -0.7184 |
| logSw: | -3.7106 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.306 |
| InChI Key: | DPSCLLKLULDHCG-UHFFFAOYSA-N |