3-[2-(6-benzyl-3,4,5,6-tetrahydroazepino[4,3-b]indol-2(1H)-yl)ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[2-(6-benzyl-3,4,5,6-tetrahydroazepino[4,3-b]indol-2(1H)-yl)ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[2-(6-benzyl-3,4,5,6-tetrahydroazepino[4,3-b]indol-2(1H)-yl)ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | H025-1012C |
| Compound Name: | 3-[2-(6-benzyl-3,4,5,6-tetrahydroazepino[4,3-b]indol-2(1H)-yl)ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 513.08 |
| Molecular Formula: | C31 H32 N4 O |
| Salt: | HCl |
| Smiles: | CC1=CC=CN2C1=NC(C)=C(CCN1CCCc3c(C1)c1ccccc1n3Cc1ccccc1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 4.8849 |
| logD: | 1.2023 |
| logSw: | -4.7669 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.0459 |
| InChI Key: | NZGCYKNKWJXHLG-UHFFFAOYSA-N |