N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)acetamide
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)acetamide
N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)acetamide
Compound characteristics
| Compound ID: | M331-0085 |
| Compound Name: | N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)acetamide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | CC(Nc1c(C)noc1/C=C/c1ccc(s1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5319 |
| logD: | 2.5318 |
| logSw: | -2.7945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.011 |
| InChI Key: | ZVIFLHJZFDSMKZ-UHFFFAOYSA-N |