2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1286 |
| Compound Name: | 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 520.53 |
| Molecular Formula: | C27 H19 F3 N4 O2 S |
| Smiles: | C1CN(C(CSC2=Nc3c4ccccc4[nH]c3C(N2c2cccc(c2)C(F)(F)F)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.0036 |
| logD: | 5.0036 |
| logSw: | -5.0586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.541 |
| InChI Key: | YFOARBYVLPWXCM-UHFFFAOYSA-N |