N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0806 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C26 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2562 |
| logD: | 4.2269 |
| logSw: | -4.2859 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.283 |
| InChI Key: | AKPZXDNJPMMNRT-UHFFFAOYSA-N |