2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1327 |
| Compound Name: | 2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 477.46 |
| Molecular Formula: | C22 H18 F3 N3 O4 S |
| Smiles: | C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O)C1OCCO1 |
| Stereo: | ACHIRAL |
| logP: | 4.0769 |
| logD: | 4.0769 |
| logSw: | -4.435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.593 |
| InChI Key: | JIQWATBDPCIICC-UHFFFAOYSA-N |