3-[4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-(morpholin-4-yl)-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-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-(morpholin-4-yl)-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-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-(morpholin-4-yl)-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: | 8014-8888 |
| Compound Name: | 3-[4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-(morpholin-4-yl)-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: | 477.61 |
| Molecular Formula: | C26 H35 N7 O2 |
| Smiles: | C1CCC(CCNc2nc(nc(n2)N2CC3CC(C2)C2=CC=CC(N2C3)=O)N2CCOCC2)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9902 |
| logD: | 4.9902 |
| logSw: | -4.6426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.873 |
| InChI Key: | CWWVSVABIHIOJU-UHFFFAOYSA-N |