N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1036 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C23 H20 N6 O3 S2 |
| Smiles: | CCc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(cc2)OC)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6216 |
| logD: | 3.5979 |
| logSw: | -3.8756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.851 |
| InChI Key: | PFFJDKQUPKOEIF-UHFFFAOYSA-N |