methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate
Chemical Structure Depiction of
methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate
methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate
Compound characteristics
| Compound ID: | C071-0401 |
| Compound Name: | methyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate |
| Molecular Weight: | 537.51 |
| Molecular Formula: | C24 H22 F3 N3 O6 S |
| Smiles: | COC(c1ccccc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3391 |
| logD: | 3.1936 |
| logSw: | -3.8662 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.108 |
| InChI Key: | NTDIBTHQNUVPIS-UHFFFAOYSA-N |