methyl 4-(2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G856-9930 |
| Compound Name: | methyl 4-(2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C19 H17 N5 O4 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(NC(Nc2ccccc2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2741 |
| logD: | 4.2739 |
| logSw: | -4.2662 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.499 |
| InChI Key: | HWWJQYFKCSSTJM-UHFFFAOYSA-N |