N-(2-methylphenyl)-2-{4-oxo-3-[(3-phenyl-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-methylphenyl)-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2-methylphenyl)-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | L690-0021 |
| Compound Name: | N-(2-methylphenyl)-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C28 H22 N6 O3 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3nc(c4ccccc4)no3)C=N1)=O)n2CC(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2816 |
| logD: | 4.2816 |
| logSw: | -4.2591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.723 |
| InChI Key: | KHTFAQDGPMAETI-UHFFFAOYSA-N |