methyl 2-({1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate
methyl 2-({1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | C857-0062 |
| Compound Name: | methyl 2-({1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(C1CCN(CC1)c1nnc(n2cccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.247 |
| logD: | 3.1787 |
| logSw: | -3.5565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.378 |
| InChI Key: | CAMRMKCLILIVDK-UHFFFAOYSA-N |