1-(2-methyl-1H-indol-3-yl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-methyl-1H-indol-3-yl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2-methyl-1H-indol-3-yl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | J031-1643 |
| Compound Name: | 1-(2-methyl-1H-indol-3-yl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | Cc1cc2c(cc1c1nnc(n1C)SCC(c1c3ccccc3[nH]c1C)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.496 |
| logD: | 3.4959 |
| logSw: | -4.0597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.378 |
| InChI Key: | XQDPFQLOLPFQPR-UHFFFAOYSA-N |