5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0852 |
| Compound Name: | 5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CC1CCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(N2CCc3ccccc3C2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7191 |
| logD: | 4.7191 |
| logSw: | -4.4538 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.128 |
| InChI Key: | JTPGMQAVOYYJSX-UHFFFAOYSA-N |