3-ethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-ethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0069 |
| Compound Name: | 3-ethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 403.42 |
| Molecular Formula: | C20 H16 F3 N3 O S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6453 |
| logD: | 4.6453 |
| logSw: | -4.4126 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.725 |
| InChI Key: | BJIGNOSKAPXNGO-UHFFFAOYSA-N |