7-(2,4-difluorobenzoyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(2,4-difluorobenzoyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,4-difluorobenzoyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0591 |
| Compound Name: | 7-(2,4-difluorobenzoyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 308.29 |
| Molecular Formula: | C14 H14 F2 N4 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3092 |
| logD: | 1.3092 |
| logSw: | -2.1072 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.923 |
| InChI Key: | WEKWRYZLKRJFNG-UHFFFAOYSA-N |