N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-{[5-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-3507 |
| Compound Name: | N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 613.72 |
| Molecular Formula: | C30 H27 N7 O4 S2 |
| Smiles: | Cc1c(C)noc1NS(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7938 |
| logD: | 2.7847 |
| logSw: | -4.6888 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.149 |
| InChI Key: | MNPAZZGIKOXFDL-UHFFFAOYSA-N |