2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0959 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCN1CCN(CC1)c1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.6425 |
| logD: | 3.1655 |
| logSw: | -3.6626 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.664 |
| InChI Key: | QDFBXFIASHSWJY-UHFFFAOYSA-N |