2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V020-9256 |
| Compound Name: | 2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 613.66 |
| Molecular Formula: | C31 H30 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(c2csc(CN(Cc3cccc(c3)C(F)(F)F)Cc3ccc4c(c3)OCO4)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1493 |
| logD: | 5.1492 |
| logSw: | -5.1621 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.811 |
| InChI Key: | QRCFECVJMAARRI-UHFFFAOYSA-N |