1-{5-[2-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{5-[2-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid
1-{5-[2-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | E958-0508 |
| Compound Name: | 1-{5-[2-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Smiles: | CCOc1ccc(CCNCc2cccn2c2nnc(N3CCC(CC3)C(O)=O)s2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.1036 |
| logD: | -0.4494 |
| logSw: | -2.7132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.79 |
| InChI Key: | JNCWHSKETZBUDF-UHFFFAOYSA-N |