3-[4-(4-chloroanilino)-6-ethoxy-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-ethoxy-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-ethoxy-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: | 8015-6389 |
| Compound Name: | 3-[4-(4-chloroanilino)-6-ethoxy-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: | 438.92 |
| Molecular Formula: | C22 H23 Cl N6 O2 |
| Smiles: | CCOc1nc(Nc2ccc(cc2)[Cl])nc(n1)N1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6679 |
| logD: | 5.6679 |
| logSw: | -5.8939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.154 |
| InChI Key: | OMDMZUZTPICION-UHFFFAOYSA-N |