2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1285 |
| Compound Name: | 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C23 H19 F3 N4 O2 S |
| Smiles: | C1CCN(C1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9484 |
| logD: | 3.9484 |
| logSw: | -4.209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.876 |
| InChI Key: | ZOHUWJSOFAJTRC-UHFFFAOYSA-N |