ethyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
ethyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 5055-7323 |
| Compound Name: | ethyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C25 H22 N4 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(C(CSc2nnc3n2c2ccccc2s3)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2147 |
| logD: | 5.2147 |
| logSw: | -5.0058 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.972 |
| InChI Key: | WVTLVSSIPHOOAR-UHFFFAOYSA-N |