1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | J031-0251 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | Cn1c(c2cc3c(cc2OC)OCCCO3)nnc1SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9887 |
| logD: | 1.9887 |
| logSw: | -2.6793 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.906 |
| InChI Key: | AVRWJFVQMWMXEF-UHFFFAOYSA-N |