ethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-(2,3,4-trifluorobenzamido)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-(2,3,4-trifluorobenzamido)-1H-pyrrole-2-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-(2,3,4-trifluorobenzamido)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-9644 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-(2,3,4-trifluorobenzamido)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 446.38 |
| Molecular Formula: | C22 H17 F3 N2 O5 |
| Smiles: | CCOC(c1c(c(cn1C)c1ccc2c(c1)OCO2)NC(c1ccc(c(c1F)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9605 |
| logD: | 0.574 |
| logSw: | -3.9498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.617 |
| InChI Key: | WSXHKBDXTSDUKA-UHFFFAOYSA-N |