3-(4-methylphenyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-methylphenyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0917 |
| Compound Name: | 3-(4-methylphenyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C25 H18 F3 N3 O S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6686 |
| logD: | 5.6686 |
| logSw: | -5.7144 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.118 |
| InChI Key: | HSWPVSZVCMQUQL-UHFFFAOYSA-N |