2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2,5-dimethylphenyl)acetamide
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | J031-2317 |
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | Cc1cc(c(C)cc1NC(CSc1nnc(c2ccc3c(c2)OCCCO3)n1C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.96 |
| logD: | 2.96 |
| logSw: | -3.341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.287 |
| InChI Key: | CZUFBVBZZOSDMN-UHFFFAOYSA-N |