N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1389 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | C1COc2ccc(CNC(CSc3nnc(c4ccco4)n3c3ccccc3)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.8184 |
| logD: | 2.8184 |
| logSw: | -3.2507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.916 |
| InChI Key: | YDWIBUZOITUGJF-UHFFFAOYSA-N |