N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
Chemical Structure Depiction of
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
Compound characteristics
| Compound ID: | E136-2562 |
| Compound Name: | N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | Cc1cc(C(C(Nc2nnc(CSCc3ccccc3)s2)=O)=O)c(C)n1CCOC |
| Stereo: | ACHIRAL |
| logP: | 3.6117 |
| logD: | 3.0537 |
| logSw: | -3.836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.351 |
| InChI Key: | ZAPQOEXUCNDYFN-UHFFFAOYSA-N |