3-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-methoxy-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-methoxy-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-methoxy-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: | 8014-8886 |
| Compound Name: | 3-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-methoxy-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: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | COc1nc(NCCC2CCCCC=2)nc(n1)N1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7706 |
| logD: | 4.7706 |
| logSw: | -4.4211 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.93 |
| InChI Key: | WJXXAYQWFXZHEB-UHFFFAOYSA-N |