2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | D434-0924 |
Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 450.52 |
Molecular Formula: | C23 H22 N4 O4 S |
Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)c1nc(C#N)c(N2CCOCC2)o1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.321 |
logD: | 3.321 |
logSw: | -3.5822 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 79.036 |
InChI Key: | PGRSTMAQCAEZIO-UHFFFAOYSA-N |