3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0036 |
| Compound Name: | 3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 301.41 |
| Molecular Formula: | C16 H19 N3 O S |
| Smiles: | CCCSCCCN1C=Nc2c3ccccc3[nH]c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5507 |
| logD: | 2.5507 |
| logSw: | -2.6962 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.547 |
| InChI Key: | PECGMWBJWGSIRB-UHFFFAOYSA-N |