N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5825 |
| Compound Name: | N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 520.54 |
| Molecular Formula: | C21 H18 F2 N6 O4 S2 |
| Smiles: | C1COCCN1S(c1ccc2c(c1)c1c(nc(nn1)SCC(Nc1ccc(c(c1)F)F)=O)[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2852 |
| logD: | 2.277 |
| logSw: | -3.0052 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.303 |
| InChI Key: | ACOIYXRZBOTDKY-UHFFFAOYSA-N |