N-(4-ethylphenyl)-2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
N-(4-ethylphenyl)-2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K292-2058 |
| Compound Name: | N-(4-ethylphenyl)-2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 641.83 |
| Molecular Formula: | C30 H35 N5 O5 S3 |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)SC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.353 |
| logD: | 3.3522 |
| logSw: | -3.9451 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 125.047 |
| InChI Key: | DYXWDUDMZCXUHB-VWLOTQADSA-N |