3-(4-methoxyphenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-methoxyphenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1059 |
| Compound Name: | 3-(4-methoxyphenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C18 H15 N3 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SC |
| Stereo: | ACHIRAL |
| logP: | 3.1047 |
| logD: | 3.1047 |
| logSw: | -3.44 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.933 |
| InChI Key: | XDQXFJMEGMTDQO-UHFFFAOYSA-N |