2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl]propan-1-one
2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA53-0548 |
| Compound Name: | 2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C20 H26 F3 N5 O |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)Cc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8738 |
| logD: | 2.0362 |
| logSw: | -3.1112 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.055 |
| InChI Key: | FGZDWOQRRVUUNG-KRWDZBQOSA-N |