methyl 2-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carbonyl}amino)benzoate
methyl 2-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | E017-0397 |
| Compound Name: | methyl 2-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carbonyl}amino)benzoate |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(C1CCCN(C1)c1nnc(N2CCCC2=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3478 |
| logD: | 2.2682 |
| logSw: | -2.9761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.142 |
| InChI Key: | OKJHLLDVGOIKFB-ZDUSSCGKSA-N |