N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C265-0811 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 518.03 |
| Molecular Formula: | C25 H28 Cl N3 O5 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(Nc2cc(C)c(cc2OC)[Cl])=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.901 |
| logD: | 3.8996 |
| logSw: | -4.3027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.993 |
| InChI Key: | HGIZCOGJXOBEQJ-UHFFFAOYSA-N |