3-methyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-methyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-methyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0792 |
| Compound Name: | 3-methyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 389.4 |
| Molecular Formula: | C19 H14 F3 N3 O S |
| Smiles: | CN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.9339 |
| logD: | 3.9339 |
| logSw: | -4.1487 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.766 |
| InChI Key: | PNPHXSYVFDFTGX-UHFFFAOYSA-N |