5-(benzylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(benzylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-(benzylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0928 |
| Compound Name: | 5-(benzylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccccc2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4883 |
| logD: | 4.4883 |
| logSw: | -4.467 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.65 |
| InChI Key: | RJQJWXNMBVYBHH-UHFFFAOYSA-N |