N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1576 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(CSc1nnc(c2ccc3c(c2)OCCO3)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9204 |
| logD: | 1.9204 |
| logSw: | -2.6836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.663 |
| InChI Key: | TTWFKTAENMLGOQ-HNNXBMFYSA-N |