2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K297-0637 |
| Compound Name: | 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 537.62 |
| Molecular Formula: | C25 H23 N5 O5 S2 |
| Smiles: | C(CNC(CSc1nc(c2ccccc2n1)Nc1ccc2c(c1)OCO2)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0785 |
| logD: | 3.0777 |
| logSw: | -3.4915 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.559 |
| InChI Key: | GPIYHAYVLVAYQC-UHFFFAOYSA-N |