2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | G856-0902 |
| Compound Name: | 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C29 H22 N4 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0403 |
| logD: | 5.0403 |
| logSw: | -5.4237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.298 |
| InChI Key: | LCXXSOJLZRGIGV-UHFFFAOYSA-N |