N-(4-bromo-2-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C265-0737 |
| Compound Name: | N-(4-bromo-2-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(cc2C)[Br])=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7683 |
| logD: | 3.7681 |
| logSw: | -3.8461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.363 |
| InChI Key: | UXCFPGMSWQRLDI-UHFFFAOYSA-N |