N-(2-bromo-4-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
N-(2-bromo-4-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C265-0718 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 532.46 |
| Molecular Formula: | C24 H26 Br N3 O4 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(Nc2ccc(C)cc2[Br])=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7315 |
| logD: | 3.7314 |
| logSw: | -3.8706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.363 |
| InChI Key: | QZICDCMQUPUHTR-UHFFFAOYSA-N |