1-{3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxylic acid
Chemical Structure Depiction of
1-{3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxylic acid
1-{3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxylic acid
Compound characteristics
| Compound ID: | C200-9651 |
| Compound Name: | 1-{3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}piperidine-3-carboxylic acid |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | Cc1ccc(CN2C(=Nc3ccsc3C2=O)N2CCCC(C2)C(O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7463 |
| logD: | 0.3183 |
| logSw: | -2.9384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.182 |
| InChI Key: | YKBXARYZOFNEAA-HNNXBMFYSA-N |