ethyl 4-{2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L880-0013 |
| Compound Name: | ethyl 4-{2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1226 |
| logD: | 4.1225 |
| logSw: | -4.2518 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.885 |
| InChI Key: | VVORGVBKPMSYMG-UHFFFAOYSA-N |