2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(pentan-3-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(pentan-3-yl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(pentan-3-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: | S906-0266 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(pentan-3-yl)piperazine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C23 H36 N6 O3 |
| Smiles: | CCC(CC)N1CCN(CC1)C(C1CCC2=NN(Cc3c(C)noc3C)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2258 |
| logD: | 1.4939 |
| logSw: | -1.9341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.235 |
| InChI Key: | APOYXANFOXRLDS-GOSISDBHSA-N |