3-{4-[(propan-2-yl)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-[(propan-2-yl)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-[(propan-2-yl)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: | 8014-1983 |
| Compound Name: | 3-{4-[(propan-2-yl)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: | 395.51 |
| Molecular Formula: | C21 H29 N7 O |
| Smiles: | CC(C)Nc1nc(nc(n1)N1CC2CC(C1)C1=CC=CC(N1C2)=O)N1CCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6906 |
| logD: | 4.6905 |
| logSw: | -4.2214 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.543 |
| InChI Key: | OHEWBSSEJMAYOU-UHFFFAOYSA-N |