N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0882 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C23 H20 N6 O2 S2 |
| Smiles: | CCc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(C)cc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0627 |
| logD: | 4.0389 |
| logSw: | -4.0263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.307 |
| InChI Key: | ZXEWAVUGEHZBGE-UHFFFAOYSA-N |