3-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0921 |
| Compound Name: | 3-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C25 H19 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4935 |
| logD: | 4.4935 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.365 |
| InChI Key: | VNJBBSPEFQENKC-UHFFFAOYSA-N |