2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G856-0963 |
| Compound Name: | 2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CCOc1ccccc1NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2578 |
| logD: | 5.2578 |
| logSw: | -5.2146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.779 |
| InChI Key: | DZMDVMHWUBIVDJ-UHFFFAOYSA-N |