2-{[3-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | C145-0161 |
| Compound Name: | 2-{[3-(4-methylphenyl)-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: | 462.55 |
| Molecular Formula: | C22 H18 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2985 |
| logD: | 3.2737 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.618 |
| InChI Key: | KFYFYMUUYZIEKS-UHFFFAOYSA-N |