N-(naphthalen-1-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(naphthalen-1-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
N-(naphthalen-1-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | 8009-5955 |
| Compound Name: | N-(naphthalen-1-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C31 H27 N5 O S |
| Smiles: | CCC(C(Nc1cccc2ccccc12)=O)Sc1nc2c(c3ccccc3n2CCc2ccccc2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8421 |
| logD: | 6.842 |
| logSw: | -6.7187 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.079 |
| InChI Key: | HEALJOYBOXJBCB-MHZLTWQESA-N |