7-amino-2-{2-oxo-2-[4-(pyrimidin-2-yl)-1,4-diazepan-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)-1,4-diazepan-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)-1,4-diazepan-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: | S638-4364 |
| Compound Name: | 7-amino-2-{2-oxo-2-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 386.46 |
| Molecular Formula: | C18 H26 N8 O2 |
| Smiles: | C1CN(CCN(C1)c1ncccn1)C(CN1C(N2CCC(CCC2=N1)N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2393 |
| logD: | -4.2321 |
| logSw: | -0.4642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.636 |
| InChI Key: | SKKYFTJENYVNCV-CQSZACIVSA-N |