3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0246 |
| Compound Name: | 3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C21 H16 F3 N3 O S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6697 |
| logD: | 4.6697 |
| logSw: | -4.6943 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.979 |
| InChI Key: | MQHNGIQOJYZOJI-UHFFFAOYSA-N |