2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0943 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)c1nc(C#N)c(NCCN2CCOCC2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7916 |
| logD: | 2.7233 |
| logSw: | -3.3326 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.383 |
| InChI Key: | VEBXPJAAWVNZET-UHFFFAOYSA-N |