N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G864-0025 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9795 |
| logD: | 3.9795 |
| logSw: | -4.0673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.875 |
| InChI Key: | YLUIBDRHOCFYMU-UHFFFAOYSA-N |