7-amino-2-{2-[4-(2-methylphenyl)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
7-amino-2-{2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-amino-2-{2-[4-(2-methylphenyl)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: | S638-4306 |
| Compound Name: | 7-amino-2-{2-[4-(2-methylphenyl)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: | 384.48 |
| Molecular Formula: | C20 H28 N6 O2 |
| Smiles: | Cc1ccccc1N1CCN(CC1)C(CN1C(N2CCC(CCC2=N1)N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9503 |
| logD: | -3.0425 |
| logSw: | -1.6796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.642 |
| InChI Key: | QNYPPXFQIJTTMW-MRXNPFEDSA-N |