2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G856-1102 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8489 |
| logD: | 3.8489 |
| logSw: | -3.9728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.462 |
| InChI Key: | COVIULGLOZCWLQ-UHFFFAOYSA-N |