N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-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: | K292-2062 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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(NCc1ccc(C)cc1)=O)SC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3629 |
| logD: | 2.3622 |
| logSw: | -2.9167 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 126.369 |
| InChI Key: | ALQJUXUPYDMUPO-VWLOTQADSA-N |