methyl 2-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
methyl 2-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | C097-0038 |
| Compound Name: | methyl 2-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 382.29 |
| Molecular Formula: | C17 H13 F3 N2 O5 |
| Smiles: | COC(c1ccccc1NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6932 |
| logD: | 2.9214 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.109 |
| InChI Key: | CJLWHVPVAYULFO-UHFFFAOYSA-N |