2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G856-1345 |
| Compound Name: | 2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3542 |
| logD: | 3.3538 |
| logSw: | -3.7273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.256 |
| InChI Key: | OPQNMUJKGRXXED-UHFFFAOYSA-N |