2-{[(pyridin-3-yl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(pyridin-3-yl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(pyridin-3-yl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1328 |
| Compound Name: | 2-{[(pyridin-3-yl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C23 H15 F3 N4 O2 S |
| Smiles: | C(c1cccnc1)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5517 |
| logD: | 4.539 |
| logSw: | -4.4156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.572 |
| InChI Key: | DOQODKNKUBKAGI-UHFFFAOYSA-N |