4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]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-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2045 |
| Compound Name: | 4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 673.83 |
| Molecular Formula: | C30 H35 N5 O7 S3 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccsc3C(N2CCCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.3845 |
| logD: | 0.3838 |
| logSw: | -2.2534 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 141.258 |
| InChI Key: | ZNGDRCOBWGSQOF-UHFFFAOYSA-N |