3-[4-(morpholin-4-yl)-6-{[(oxolan-2-yl)methyl]amino}-1,3,5-triazin-2-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[4-(morpholin-4-yl)-6-{[(oxolan-2-yl)methyl]amino}-1,3,5-triazin-2-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[4-(morpholin-4-yl)-6-{[(oxolan-2-yl)methyl]amino}-1,3,5-triazin-2-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | 8014-1979 |
| Compound Name: | 3-[4-(morpholin-4-yl)-6-{[(oxolan-2-yl)methyl]amino}-1,3,5-triazin-2-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C23 H31 N7 O3 |
| Smiles: | C1CC(CNc2nc(nc(n2)N2CC3CC(C2)C2=CC=CC(N2C3)=O)N2CCOCC2)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.328 |
| logD: | 3.328 |
| logSw: | -3.1974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.494 |
| InChI Key: | YZJWVFZLSAHUJK-UHFFFAOYSA-N |