N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K292-1341 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 643.76 |
| Molecular Formula: | C28 H29 N5 O7 S3 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0058 |
| logD: | 1.0051 |
| logSw: | -2.3368 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 143.271 |
| InChI Key: | XPMUAXXTKLKWRW-UHFFFAOYSA-N |