N-(2-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-(2-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-(2-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: | K292-2059 |
Compound Name: | N-(2-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(Nc1ccccc1CC)=O)SC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2204 |
logD: | 3.2197 |
logSw: | -3.6592 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 124.349 |
InChI Key: | KNVNEPRXEADXQG-VWLOTQADSA-N |