N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V006-5925 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 645.7 |
| Molecular Formula: | C35 H30 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1csc(CN(Cc2ccc(cc2)OCc2ccccc2)Cc2cccc(c2)C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1549 |
| logD: | 7.1549 |
| logSw: | -6.2661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.936 |
| InChI Key: | QDQNFCNSFNQVID-UHFFFAOYSA-N |