ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate
ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate
Compound characteristics
| Compound ID: | 7151-0001 |
| Compound Name: | ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C16 H19 N3 O3 S3 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)Sc1nc(ns1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0214 |
| logD: | 5.0211 |
| logSw: | -4.5229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.985 |
| InChI Key: | IQYHBHPXYLPEPC-LBPRGKRZSA-N |