2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-3015 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C21 H22 F3 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7656 |
| logD: | 2.7646 |
| logSw: | -3.1007 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.887 |
| InChI Key: | BVNQSUUZZISDOA-UHFFFAOYSA-N |