3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0009 |
| Compound Name: | 3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3304 |
| logD: | 2.3304 |
| logSw: | -2.6482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.484 |
| InChI Key: | BKQUENJHTGSFBI-UHFFFAOYSA-N |