N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | L690-0720 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 486.49 |
| Molecular Formula: | C25 H22 N6 O5 |
| Smiles: | CCc1nc(CN2C=Nc3c4cc(C)ccc4n(CC(Nc4ccc5c(c4)OCO5)=O)c3C2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.5447 |
| logD: | 3.5446 |
| logSw: | -3.6994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.798 |
| InChI Key: | CPHMUWWMOIRHRI-UHFFFAOYSA-N |