7-[(3-bromo-4-fluorophenyl)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-[(3-bromo-4-fluorophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(3-bromo-4-fluorophenyl)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: | S636-0259 |
| Compound Name: | 7-[(3-bromo-4-fluorophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 341.18 |
| Molecular Formula: | C13 H14 Br F N4 O |
| Smiles: | C1CN(CCN2C1=NNC2=O)Cc1ccc(c(c1)[Br])F |
| Stereo: | ACHIRAL |
| logP: | 2.1906 |
| logD: | 1.9033 |
| logSw: | -2.7948 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.658 |
| InChI Key: | XBFJHNSAGLNSCT-UHFFFAOYSA-N |