methyl 3-({4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl}amino)benzoate
methyl 3-({4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | L077-0585 |
| Compound Name: | methyl 3-({4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(N1CCC(CC1)c1nnc(C(Nc2ccccc2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.554 |
| logD: | 3.554 |
| logSw: | -3.7646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.205 |
| InChI Key: | ABMIVPVZXZIXSD-UHFFFAOYSA-N |