N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C064-0498 |
| Compound Name: | N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 557.71 |
| Molecular Formula: | C25 H27 N5 O4 S3 |
| Smiles: | CCSc1nnc(NC(CSc2cn(CCNC(c3ccc(c(c3)OC)OC)=O)c3ccccc23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0578 |
| logD: | 4.0548 |
| logSw: | -3.9933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.52 |
| InChI Key: | FLIAQWUBFFAEOR-UHFFFAOYSA-N |