2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0953 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C26 H22 N4 O4 S |
| Smiles: | COc1ccc(cc1)Nc1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9708 |
| logD: | 4.9708 |
| logSw: | -4.5392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.872 |
| InChI Key: | WYPZJQCPVCDLGK-UHFFFAOYSA-N |