2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | G856-1105 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7912 |
| logD: | 3.782 |
| logSw: | -4.0669 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.186 |
| InChI Key: | BTEIBKPMVWZBPA-UHFFFAOYSA-N |