N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)propanamide
Chemical Structure Depiction of
N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)propanamide
N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)propanamide
Compound characteristics
| Compound ID: | M331-0403 |
| Compound Name: | N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)propanamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | CCC(Nc1c(C)noc1/C=C/c1ccc(s1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4577 |
| logD: | 3.4575 |
| logSw: | -3.6187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.899 |
| InChI Key: | KTFYJESKPCQJOM-UHFFFAOYSA-N |