2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-fluorophenyl)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-(3-fluorophenyl)acetamide
2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-0957 |
| Compound Name: | 2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C26 H21 F N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2366 |
| logD: | 5.2365 |
| logSw: | -5.2646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.267 |
| InChI Key: | LPVFNDNHBUJGKA-UHFFFAOYSA-N |