methyl 5-[({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)methyl]furan-2-carboxylate
methyl 5-[({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | G856-1295 |
| Compound Name: | methyl 5-[({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)methyl]furan-2-carboxylate |
| Molecular Weight: | 499.47 |
| Molecular Formula: | C24 H16 F3 N3 O4 S |
| Smiles: | COC(c1ccc(CSC2=Nc3c4ccccc4[nH]c3C(N2c2cccc(c2)C(F)(F)F)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.964 |
| logD: | 4.964 |
| logSw: | -4.9787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.133 |
| InChI Key: | PVNVPBVCXUFIPX-UHFFFAOYSA-N |