2-[(3-fluorophenyl)methyl]-5-[4-(prop-2-en-1-yl)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-(prop-2-en-1-yl)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-(prop-2-en-1-yl)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: | S894-0597 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H28 F N5 O2 |
| Smiles: | C=CCN1CCN(CC1)C(C1CCCCC2=NN(Cc3cccc(c3)F)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2592 |
| logD: | 2.1952 |
| logSw: | -2.4532 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.659 |
| InChI Key: | OEJSMDONPLAANW-IBGZPJMESA-N |