N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(furan-2-yl)-4-phenyl-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-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1390 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(CSc1nnc(c2ccco2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2609 |
| logD: | 3.2609 |
| logSw: | -3.5706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.08 |
| InChI Key: | OVAUQOMWUHXIQI-KRWDZBQOSA-N |