N-(2H-1,3-benzodioxol-5-yl)-2-{8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)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-{8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | L690-0630 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C24 H20 N6 O5 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3nc(C)no3)C=N1)=O)n2CC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8888 |
| logD: | 2.8887 |
| logSw: | -3.1112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.421 |
| InChI Key: | PSBTYICCSSUSEH-UHFFFAOYSA-N |