N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D692-0110 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C26 H23 N5 O3 S |
| Smiles: | COc1cccc(CNC(CSc2nnc3c4ccccc4nc(c4ccccc4)n23)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5774 |
| logD: | 4.572 |
| logSw: | -4.4089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.129 |
| InChI Key: | QYYFKZIWXKICFL-UHFFFAOYSA-N |