3-(4-chloro-6-{[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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: | 8014-8889 |
| Compound Name: | 3-(4-chloro-6-{[2-(3,4-dimethoxyphenyl)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: | 482.97 |
| Molecular Formula: | C24 H27 Cl N6 O3 |
| Smiles: | COc1ccc(CCNc2nc(nc(n2)[Cl])N2CC3CC(C2)C2=CC=CC(N2C3)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0815 |
| logD: | 4.0815 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.388 |
| InChI Key: | DRVRFMGQMHIZLI-UHFFFAOYSA-N |