2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0950 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | C1CC(CNc2c(C#N)nc(c3ccc(cc3)S(N3CCc4ccccc4C3)(=O)=O)o2)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3089 |
| logD: | 3.3089 |
| logSw: | -3.6921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.305 |
| InChI Key: | ROCASDZUOMROEI-HXUWFJFHSA-N |