2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G856-1349 |
| Compound Name: | 2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C17 H16 N6 O2 S2 |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1137 |
| logD: | 2.0832 |
| logSw: | -2.7474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.226 |
| InChI Key: | PXIBCPJSUVLQSM-UHFFFAOYSA-N |