2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-3091 |
| Compound Name: | 2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 634.78 |
| Molecular Formula: | C31 H34 N6 O5 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2061 |
| logD: | 1.2053 |
| logSw: | -2.3664 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.318 |
| InChI Key: | AGFDVNLWXWDCSI-UHFFFAOYSA-N |