3-ethyl-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-ethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0013 |
| Compound Name: | 3-ethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCC(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8797 |
| logD: | 2.8797 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.118 |
| InChI Key: | MGJCPKSVFDIGPI-UHFFFAOYSA-N |