methyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate
methyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate
Compound characteristics
| Compound ID: | C071-0284 |
| Compound Name: | methyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate |
| Molecular Weight: | 537.47 |
| Molecular Formula: | C23 H18 F3 N3 O7 S |
| Smiles: | COC(c1ccccc1NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6248 |
| logD: | 3.6083 |
| logSw: | -3.9431 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.593 |
| InChI Key: | QITLNUDISIYZNQ-UHFFFAOYSA-N |