3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N094-0008 |
| Compound Name: | 3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 282.77 |
| Molecular Formula: | C14 H19 Cl N2 O2 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)CC(C[Cl])O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3079 |
| logD: | 1.0868 |
| logSw: | -1.1085 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.561 |
| InChI Key: | IZUQCDFAYZCLQS-UHFFFAOYSA-N |