2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
Chemical Structure Depiction of
2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
Compound characteristics
| Compound ID: | E136-3076 |
| Compound Name: | 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-({[(3-methylphenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | Cc1cccc(CSCc2nnc(NC(C(c3cc(C)n(CCOC)c3C)=O)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5358 |
| logD: | 3.9778 |
| logSw: | -4.1894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.351 |
| InChI Key: | YEBGFXGVHACMQG-UHFFFAOYSA-N |