2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L880-0039 |
| Compound Name: | 2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C23 H24 N4 O3 S2 |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9821 |
| logD: | 3.9821 |
| logSw: | -4.0975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.132 |
| InChI Key: | JRSDBWKAFQPKDY-UHFFFAOYSA-N |