N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]acetamide
Chemical Structure Depiction of
N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]acetamide
N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K786-9419 |
| Compound Name: | N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]acetamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | CC(Nc1cc(ccc1S(c1ccc(C)cc1)(=O)=O)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3478 |
| logD: | 3.3478 |
| logSw: | -3.7483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.614 |
| InChI Key: | YXOLXOSRRPWYPK-UHFFFAOYSA-N |