2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S336-0323 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C19 H24 F N5 O2 |
| Smiles: | C1CCC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9792 |
| logD: | 1.9792 |
| logSw: | -2.3267 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.169 |
| InChI Key: | RSFOLBLBCHNTHI-UHFFFAOYSA-N |