3-(3,5-dimethylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(3,5-dimethylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0971 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C26 H20 F3 N3 O S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.4421 |
| logD: | 6.442 |
| logSw: | -5.9707 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.118 |
| InChI Key: | ROSQPXUNYVCXHW-UHFFFAOYSA-N |