2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K297-0635 |
| Compound Name: | 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CSc2nc(c3ccccc3n2)Nc2ccc3c(c2)OCO3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.235 |
| logD: | 4.2349 |
| logSw: | -4.3127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.216 |
| InChI Key: | PJMCIOQCALLQSR-UHFFFAOYSA-N |