N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(1-ethyl-1H-indol-3-yl)-4-methyl-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-(1-ethyl-1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(1-ethyl-1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1491 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[5-(1-ethyl-1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCn1cc(c2ccccc12)c1nnc(n1C)SCC(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.668 |
| logD: | 2.668 |
| logSw: | -2.924 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.405 |
| InChI Key: | OEEAUAJRQQTZDU-UHFFFAOYSA-N |