2-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S894-0598 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C23 H32 F N5 O2 |
| Smiles: | CC(C)CN1CCN(CC1)C(C1CCCCC2=NN(Cc3cccc(c3)F)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9338 |
| logD: | 2.6609 |
| logSw: | -3.1396 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.68 |
| InChI Key: | PBHYFENXWAGREY-FQEVSTJZSA-N |