2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-2664 |
| Compound Name: | 2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 566.65 |
| Molecular Formula: | C27 H26 N4 O6 S2 |
| Smiles: | C(CNC(CSC1=Nc2ccccc2C(N1CC1COc2ccccc2O1)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6394 |
| logD: | 1.6387 |
| logSw: | -2.6566 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.367 |
| InChI Key: | VCOJZTYKPKXLBE-IBGZPJMESA-N |