3-(2-methoxy-5-methylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(2-methoxy-5-methylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(2-methoxy-5-methylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1339 |
| Compound Name: | 3-(2-methoxy-5-methylphenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 495.52 |
| Molecular Formula: | C26 H20 F3 N3 O2 S |
| Smiles: | Cc1ccc(c(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc(c1)C(F)(F)F)OC |
| Stereo: | ACHIRAL |
| logP: | 5.7434 |
| logD: | 5.7434 |
| logSw: | -5.8614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.447 |
| InChI Key: | IMYJLZAOJUPFQD-UHFFFAOYSA-N |