3-(4-ethoxy-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-ethoxy-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-ethoxy-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: | 8014-1978 |
| Compound Name: | 3-(4-ethoxy-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: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | CCOc1nc(NCC2CCCO2)nc(n1)N1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4893 |
| logD: | 3.4893 |
| logSw: | -3.4764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.131 |
| InChI Key: | LMNIOCFOSWSGKT-UHFFFAOYSA-N |