4-{[4-oxo-2-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[4-oxo-2-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[4-oxo-2-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | E793-3721 |
| Compound Name: | 4-{[4-oxo-2-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 513.68 |
| Molecular Formula: | C26 H31 N3 O4 S2 |
| Smiles: | CC(CCc1ccccc1)NC(CSC1=Nc2ccsc2C(N1CC1CCC(CC1)C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2544 |
| logD: | 1.6941 |
| logSw: | -4.153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.303 |
| InChI Key: | YUQFRUHCDYBSIX-KKXNLOMOSA-N |