methyl 3-[(4-{5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(4-{5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
methyl 3-[(4-{5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L077-0838 |
| Compound Name: | methyl 3-[(4-{5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C23 H22 F N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(N1CCC(CC1)c1nnc(C(Nc2ccccc2F)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7241 |
| logD: | 3.7208 |
| logSw: | -4.0058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.507 |
| InChI Key: | DNJOYDFMEFHQOF-UHFFFAOYSA-N |