2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-0256 |
| Compound Name: | 2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C15 H18 N4 O4 S |
| Smiles: | Cn1c(c2cc3c(cc2OC)OCCCO3)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4035 |
| logD: | 0.4035 |
| logSw: | -1.714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.495 |
| InChI Key: | KABNRPLUCCQCPL-UHFFFAOYSA-N |