N-[4-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-2-yl]acetamide
Chemical Structure Depiction of
N-[4-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-2-yl]acetamide
N-[4-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | 8019-4008 |
| Compound Name: | N-[4-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-2-yl]acetamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C22 H19 N5 O3 S2 |
| Smiles: | CC(Nc1nc(CSc2nnc(C3COc4ccccc4O3)n2c2ccccc2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2576 |
| logD: | 4.25 |
| logSw: | -4.2934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.953 |
| InChI Key: | NZFXMOWXJWAAPC-IBGZPJMESA-N |