methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | G856-1123 |
| Compound Name: | methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SC(C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8137 |
| logD: | 3.8137 |
| logSw: | -4.0595 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.687 |
| InChI Key: | ZVKGLQDAFWLKST-ZDUSSCGKSA-N |