N-(5-{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide
Chemical Structure Depiction of
N-(5-{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide
N-(5-{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide
Compound characteristics
| Compound ID: | M026-1357 |
| Compound Name: | N-(5-{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | Cc1c(c(/C=C\c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)on1)NC(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1366 |
| logD: | 4.1364 |
| logSw: | -4.0896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.345 |
| InChI Key: | IZLIHLOXJNBPGW-UHFFFAOYSA-N |