N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6155 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 597.06 |
| Molecular Formula: | C30 H24 Cl F3 N4 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.848 |
| logD: | 6.8318 |
| logSw: | -6.3058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.785 |
| InChI Key: | MDOAGTSYYAHQIB-UHFFFAOYSA-N |