N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-1380 |
| Compound Name: | N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 551.65 |
| Molecular Formula: | C25 H25 N7 O4 S2 |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)S(Nc1c(C)c(C)no1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6017 |
| logD: | 1.5926 |
| logSw: | -3.9058 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.517 |
| InChI Key: | HGCPIEMEPHSETD-UHFFFAOYSA-N |