2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-4234 |
| Compound Name: | 2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C26 H31 N5 O5 S2 |
| Smiles: | C1CCN(C1)C(CCCN1C(=Nc2ccccc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.358 |
| logD: | 0.3573 |
| logSw: | -2.2891 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.424 |
| InChI Key: | NHVZKXWYFQGVRK-UHFFFAOYSA-N |