7-amino-2-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-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-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-amino-2-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-4328 |
| Compound Name: | 7-amino-2-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C17 H24 N8 O2 |
| Smiles: | C1CC2=NN(CC(N3CCN(CC3)c3ncccn3)=O)C(N2CCC1N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5075 |
| logD: | -4.5004 |
| logSw: | -0.4685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.305 |
| InChI Key: | CZESGLYMCFUBRY-CYBMUJFWSA-N |