N-(2,4-difluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,4-difluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0895 |
| Compound Name: | N-(2,4-difluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C25 H18 F2 N4 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3872 |
| logD: | 4.3832 |
| logSw: | -4.3409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.569 |
| InChI Key: | DAXPQSNXRAUZJV-UHFFFAOYSA-N |