2-methyl-7-[4-(trifluoromethoxy)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-methyl-7-[4-(trifluoromethoxy)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-[4-(trifluoromethoxy)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0580 |
| Compound Name: | 2-methyl-7-[4-(trifluoromethoxy)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 356.3 |
| Molecular Formula: | C15 H15 F3 N4 O3 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0436 |
| logD: | 2.0436 |
| logSw: | -2.1754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.859 |
| InChI Key: | KUJOSHLTMXEYEK-UHFFFAOYSA-N |