N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0397 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 485.52 |
| Molecular Formula: | C25 H19 N5 O4 S |
| Smiles: | COc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6757 |
| logD: | 4.6723 |
| logSw: | -4.5188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.119 |
| InChI Key: | QSUSGYSVRFOFJZ-UHFFFAOYSA-N |