2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L880-0275 |
| Compound Name: | 2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C22 H22 N4 O3 S2 |
| Smiles: | CN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4647 |
| logD: | 3.4647 |
| logSw: | -4.0165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.172 |
| InChI Key: | FFXODTUIQGEIHV-UHFFFAOYSA-N |