N-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1098 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8995 |
| logD: | 4.8995 |
| logSw: | -4.7452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.693 |
| InChI Key: | YQKAYWKSRCAQCI-UHFFFAOYSA-N |