N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1187 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 546.93 |
| Molecular Formula: | C25 H15 Cl F4 N4 O2 S |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.302 |
| logD: | 5.2858 |
| logSw: | -6.1001 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.569 |
| InChI Key: | LHLPVJPGHURGTE-UHFFFAOYSA-N |