ethyl 4-{2-[(3-ethyl-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-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G864-0048 |
| Compound Name: | ethyl 4-{2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8879 |
| logD: | 3.8878 |
| logSw: | -4.0581 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.629 |
| InChI Key: | JOEBFNOEVZSCRM-UHFFFAOYSA-N |