3-ethyl-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-ethyl-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0007 |
| Compound Name: | 3-ethyl-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 259.33 |
| Molecular Formula: | C13 H13 N3 O S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SC |
| Stereo: | ACHIRAL |
| logP: | 2.3609 |
| logD: | 2.3609 |
| logSw: | -2.7088 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.997 |
| InChI Key: | GDMYFEHFDQQMEN-UHFFFAOYSA-N |