2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-1322 |
| Compound Name: | 2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 512.48 |
| Molecular Formula: | C25 H16 F4 N4 O2 S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1417 |
| logD: | 5.1415 |
| logSw: | -5.7121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.966 |
| InChI Key: | GZJQFDFMFLNKKM-UHFFFAOYSA-N |