2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-[(3-ethoxypropyl)amino]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-[(3-ethoxypropyl)amino]-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-[(3-ethoxypropyl)amino]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0956 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-[(3-ethoxypropyl)amino]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CCOCCCNc1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7153 |
| logD: | 3.7153 |
| logSw: | -3.8727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.741 |
| InChI Key: | YYIYHEIBYMKXPH-UHFFFAOYSA-N |