methyl 4-[2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G856-9759 |
| Compound Name: | methyl 4-[2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C20 H19 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(Nc1nnc(SCC(Nc2ccc(cc2)C(=O)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8892 |
| logD: | 4.889 |
| logSw: | -4.5732 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.499 |
| InChI Key: | CSWUBCKZLBEWBP-UHFFFAOYSA-N |