N-(3-methoxyphenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-methoxyphenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1606 |
| Compound Name: | N-(3-methoxyphenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | Cc1cc2c(cc1c1nnc(n1C)SCC(Nc1cccc(c1)OC)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.904 |
| logD: | 2.904 |
| logSw: | -3.3804 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.898 |
| InChI Key: | CFSOAXXQZSESFD-UHFFFAOYSA-N |