2-[(3-fluorophenyl)methyl]-5-(4-phenylpiperazine-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-phenylpiperazine-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-phenylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S894-0517 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C25 H28 F N5 O2 |
| Smiles: | C1CCC2=NN(Cc3cccc(c3)F)C(N2C(C1)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.475 |
| logD: | 3.4749 |
| logSw: | -3.7048 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.129 |
| InChI Key: | YDRKRJMXQJZVDO-QFIPXVFZSA-N |