methyl 2-[(2-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(2-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
methyl 2-[(2-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | F793-0344 |
| Compound Name: | methyl 2-[(2-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C22 H20 F N5 O4 S |
| Smiles: | COC(c1ccccc1NC(N1CCCC1c1nnc(C(Nc2ccc(cc2)F)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3063 |
| logD: | 3.3035 |
| logSw: | -3.8027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.567 |
| InChI Key: | VLLYMLPJKZLATC-KRWDZBQOSA-N |