N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide
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-methoxybenzamide
N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C064-0042 |
| Compound Name: | N-(2-{3-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C24 H25 N5 O3 S3 |
| Smiles: | CCSc1nnc(NC(CSc2cn(CCNC(c3ccc(cc3)OC)=O)c3ccccc23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4159 |
| logD: | 4.4129 |
| logSw: | -4.0068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.803 |
| InChI Key: | ZQSBKUYBIKLCSO-UHFFFAOYSA-N |