3-[4-(4-chloroanilino)-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-(4-chloroanilino)-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-(4-chloroanilino)-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: | 8016-0845 |
| Compound Name: | 3-[4-(4-chloroanilino)-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: | 463.97 |
| Molecular Formula: | C24 H26 Cl N7 O |
| Smiles: | C1CCN(C1)c1nc(Nc2ccc(cc2)[Cl])nc(n1)N1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3328 |
| logD: | 6.3326 |
| logSw: | -6.4152 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.975 |
| InChI Key: | XSDGEAHIOMIJKC-UHFFFAOYSA-N |