N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5439 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C24 H24 N6 O5 S2 |
| Smiles: | C1CCN(CC1)S(c1ccc2c(c1)c1c(nc(nn1)SCC(Nc1ccc3c(c1)OCCO3)=O)[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8906 |
| logD: | 1.8906 |
| logSw: | -2.8365 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.218 |
| InChI Key: | JIPMWQJMZXEVRO-UHFFFAOYSA-N |