N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl[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-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0149 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C25 H19 N5 O3 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7277 |
| logD: | 3.7223 |
| logSw: | -4.187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.283 |
| InChI Key: | RTWJUVCZLMDLST-UHFFFAOYSA-N |