3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | G856-0931 |
Compound Name: | 3-(3,5-dimethylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 460.6 |
Molecular Formula: | C26 H28 N4 O2 S |
Smiles: | CC1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6764 |
logD: | 4.6763 |
logSw: | -4.4129 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.51 |
InChI Key: | QKAAMDSHJMVAMC-UHFFFAOYSA-N |