methyl 4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
methyl 4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | F793-0468 |
| Compound Name: | methyl 4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(C2CCCN2C(Nc2ccc(cc2)C(=O)OC)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6707 |
| logD: | 3.6706 |
| logSw: | -3.8365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.265 |
| InChI Key: | WAADNZOBLIZRLI-SFHVURJKSA-N |