8-chloro-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-chloro-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-chloro-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0390 |
| Compound Name: | 8-chloro-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 335.85 |
| Molecular Formula: | C16 H18 Cl N3 O S |
| Smiles: | CCCSCCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2417 |
| logD: | 3.2417 |
| logSw: | -3.5678 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.547 |
| InChI Key: | JLSIXXRMYBBOQO-UHFFFAOYSA-N |