4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | M050-0553 |
| Compound Name: | 4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide |
| Molecular Weight: | 478.45 |
| Molecular Formula: | C21 H17 F3 N4 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(c(C(NCc2cccc(c2)C(F)(F)F)=O)sn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1592 |
| logD: | 3.1592 |
| logSw: | -3.4368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.829 |
| InChI Key: | QTUZCPGMRMWWFV-UHFFFAOYSA-N |