1-{5-[2-({[(2,3-dimethoxyphenyl)methyl]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-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid
1-{5-[2-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | E958-0445 |
| Compound Name: | 1-{5-[2-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxylic acid |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | COc1cccc(CNCc2cccn2c2nnc(N3CCC(CC3)C(O)=O)s2)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3736 |
| logD: | 2.3736 |
| logSw: | -2.5978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.876 |
| InChI Key: | SVFMRLYFRYKVJR-UHFFFAOYSA-N |