7-{[4-(trifluoromethoxy)phenyl]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-{[4-(trifluoromethoxy)phenyl]methyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-{[4-(trifluoromethoxy)phenyl]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: | S636-0289 |
| Compound Name: | 7-{[4-(trifluoromethoxy)phenyl]methyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 328.29 |
| Molecular Formula: | C14 H15 F3 N4 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)Cc1ccc(cc1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.6744 |
| logD: | 2.3233 |
| logSw: | -2.9594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.594 |
| InChI Key: | PCSUZOBKZFHZGO-UHFFFAOYSA-N |