5-[(butan-2-yl)amino]-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-[(butan-2-yl)amino]-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-[(butan-2-yl)amino]-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0921 |
| Compound Name: | 5-[(butan-2-yl)amino]-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCC(C)Nc1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2714 |
| logD: | 4.2714 |
| logSw: | -4.143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.363 |
| InChI Key: | MUPHQEGQZOVWMZ-INIZCTEOSA-N |