2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-2303 |
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | C1CC(CNC(CSc2nnc(c3ccc4c(c3)OCCCO4)n2c2ccccc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.332 |
| logD: | 2.332 |
| logSw: | -2.8344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.993 |
| InChI Key: | PDCNFEAXLZQHCK-LJQANCHMSA-N |