N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
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)-4-fluorobenzamide
N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | C064-0156 |
| Compound Name: | N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C23 H22 F N5 O2 S3 |
| Smiles: | CCSc1nnc(NC(CSc2cn(CCNC(c3ccc(cc3)F)=O)c3ccccc23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4626 |
| logD: | 4.4596 |
| logSw: | -4.0141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.259 |
| InChI Key: | PSSZJEDIVWJDDW-UHFFFAOYSA-N |