N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(8-methyl-4-oxo-3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(8-methyl-4-oxo-3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(8-methyl-4-oxo-3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide
Compound characteristics
| Compound ID: | L690-1675 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(8-methyl-4-oxo-3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C27 H32 N6 O3 |
| Smiles: | CC(C)c1nc(CN2C=Nc3c4cc(C)ccc4n(CC(NCCC4CCCCC=4)=O)c3C2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.947 |
| logD: | 3.947 |
| logSw: | -3.9431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.048 |
| InChI Key: | OQIJKQPOARZWDG-UHFFFAOYSA-N |