N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C265-0782 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(Nc2cc(ccc2OC)OC)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6335 |
| logD: | 2.6331 |
| logSw: | -3.389 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.537 |
| InChI Key: | KQTPOQSDFHBPIS-UHFFFAOYSA-N |