N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-4-{[4-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-4-{[4-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-4-{[4-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide
Compound characteristics
| Compound ID: | V029-0497 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-4-{[4-(trifluoromethyl)phenyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxamide |
| Molecular Weight: | 537.35 |
| Molecular Formula: | C23 H16 Br F3 N2 O3 S |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc2c(c(cs2)[Br])n1Cc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.063 |
| logD: | 6.063 |
| logSw: | -6.123 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.015 |
| InChI Key: | PVPFRIMQQXQTCS-UHFFFAOYSA-N |