N-(5-chloropyridin-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-7607 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C19 H17 Cl N6 O S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1331 |
| logD: | 4.1244 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.908 |
| InChI Key: | MPIUEJFLNHKNON-UHFFFAOYSA-N |