2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L690-0259 |
| Compound Name: | 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C24 H22 N6 O3 S |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3nc(CC)no3)C=N1)=O)n2CC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6028 |
| logD: | 3.6028 |
| logSw: | -3.8932 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.683 |
| InChI Key: | GCFJENCOQYKILJ-UHFFFAOYSA-N |