5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-1,2-dihydro-3H-pyrrol-3-one
5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | V021-7809 |
| Compound Name: | 5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C24 H22 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCN2CC(C(=C2N)c2nc(cs2)c2ccc(cc2)C(F)(F)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6687 |
| logD: | 4.6687 |
| logSw: | -4.6858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.118 |
| InChI Key: | XCTPCNCHRICTIX-UHFFFAOYSA-N |