N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide
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)cyclopropanecarboxamide
N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide
Compound characteristics
| Compound ID: | M331-0721 |
| Compound Name: | N-(5-{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-2-yl]ethenyl}-3-methyl-1,2-oxazol-4-yl)cyclopropanecarboxamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C23 H23 N3 O4 S2 |
| Smiles: | Cc1c(c(/C=C/c2ccc(s2)S(N2CCc3ccccc3C2)(=O)=O)on1)NC(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9532 |
| logD: | 3.953 |
| logSw: | -3.929 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.364 |
| InChI Key: | WXBBOBVCKUWSDJ-UHFFFAOYSA-N |