2-[(3-phenylprop-2-en-1-yl)sulfanyl]-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-[(3-phenylprop-2-en-1-yl)sulfanyl]-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-[(3-phenylprop-2-en-1-yl)sulfanyl]-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1326 |
| Compound Name: | 2-[(3-phenylprop-2-en-1-yl)sulfanyl]-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C26 H18 F3 N3 O2 S |
| Smiles: | C(/C=C/c1ccccc1)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6205 |
| logD: | 6.6205 |
| logSw: | -6.2782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.055 |
| InChI Key: | DDXJYPRFMGKVFS-UHFFFAOYSA-N |