4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2014 |
| Compound Name: | 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 613.78 |
| Molecular Formula: | C28 H31 N5 O5 S3 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2CCCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5161 |
| logD: | 1.5154 |
| logSw: | -2.3561 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 126.155 |
| InChI Key: | GWWSPQFJXKQRJP-UHFFFAOYSA-N |