2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
Chemical Structure Depiction of
2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
Compound characteristics
| Compound ID: | 3698-0106 |
| Compound Name: | 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C27 H26 N6 O3 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)S(N)(=O)=O)=O)Sc1nc2c(c3ccccc3n2CCc2ccccc2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3351 |
| logD: | 4.3337 |
| logSw: | -4.2304 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.651 |
| InChI Key: | QYSRJGRVJZYNHZ-QHCPKHFHSA-N |