3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | G856-0973 |
Compound Name: | 3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 429.52 |
Molecular Formula: | C25 H20 F N3 O S |
Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccccc1F |
Stereo: | ACHIRAL |
logP: | 5.9719 |
logD: | 5.9719 |
logSw: | -5.6708 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 33.118 |
InChI Key: | HZOSXFMTAJWUFP-UHFFFAOYSA-N |