methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 7617-0146 |
| Compound Name: | methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 355.45 |
| Molecular Formula: | C13 H13 N3 O3 S3 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc(ns1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.518 |
| logD: | 3.5179 |
| logSw: | -3.7468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.191 |
| InChI Key: | NYFIBMGXJKBVCO-UHFFFAOYSA-N |