3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
Chemical Structure Depiction of
3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
Compound characteristics
| Compound ID: | F797-0584 |
| Compound Name: | 3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide |
| Molecular Weight: | 430.38 |
| Molecular Formula: | C21 H17 F3 N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCC(Nc3cccc(c3)OC(F)(F)F)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.8261 |
| logD: | 3.826 |
| logSw: | -4.1173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.362 |
| InChI Key: | HGWFTSNMVZYISA-UHFFFAOYSA-N |