3-{[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]methyl}-4-methoxybenzaldehyde
3-{[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | C200-2229 |
| Compound Name: | 3-{[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C25 H22 N2 O6 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(=O)Oc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8894 |
| logD: | 3.8894 |
| logSw: | -4.0366 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.229 |
| InChI Key: | IMMISKDBHAFOJV-UHFFFAOYSA-N |