1-{4-cyano-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{4-cyano-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide
1-{4-cyano-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D434-0941 |
| Compound Name: | 1-{4-cyano-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | C1CN(CCC1C(N)=O)c1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8593 |
| logD: | 2.8593 |
| logSw: | -3.2858 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.186 |
| InChI Key: | HEXKFABCZJRPKP-UHFFFAOYSA-N |