N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1788 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCn1c(c2cc3c(cc2C)OCCCO3)nnc1SCC(Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4933 |
| logD: | 3.4933 |
| logSw: | -3.6328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.571 |
| InChI Key: | KCOGLOWFTIVEOD-UHFFFAOYSA-N |