3-(4-chloro-6-{[2-(morpholin-4-yl)ethyl]amino}-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-chloro-6-{[2-(morpholin-4-yl)ethyl]amino}-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-chloro-6-{[2-(morpholin-4-yl)ethyl]amino}-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: | 6412-0026 |
| Compound Name: | 3-(4-chloro-6-{[2-(morpholin-4-yl)ethyl]amino}-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: | 431.92 |
| Molecular Formula: | C20 H26 Cl N7 O2 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1nc(NCCN2CCOCC2)nc(n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7033 |
| logD: | 2.6144 |
| logSw: | -3.5625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.018 |
| InChI Key: | SHOBWEXDDFLJIT-UHFFFAOYSA-N |