ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate
ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate
Compound characteristics
| Compound ID: | K292-2097 |
| Compound Name: | ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate |
| Molecular Weight: | 685.84 |
| Molecular Formula: | C31 H35 N5 O7 S3 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)SC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0237 |
| logD: | 3.023 |
| logSw: | -3.7023 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 145.8 |
| InChI Key: | XPLBOWWVEZNRPE-VWLOTQADSA-N |