3-[4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-(pyrrolidin-1-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-(pyrrolidin-1-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-(pyrrolidin-1-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: | 8014-1699 |
| Compound Name: | 3-[4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-(pyrrolidin-1-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: | 461.61 |
| Molecular Formula: | C26 H35 N7 O |
| Smiles: | C1CCC(CCNc2nc(nc(n2)N2CC3CC(C2)C2=CC=CC(N2C3)=O)N2CCCC2)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8164 |
| logD: | 5.8163 |
| logSw: | -5.5505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.331 |
| InChI Key: | MKMYGHARUNLULF-UHFFFAOYSA-N |