N-[2-(3-methylphenyl)ethyl]-N~3~-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-N~3~-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alaninamide
N-[2-(3-methylphenyl)ethyl]-N~3~-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-3243 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-N~3~-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | Cc1cccc(CCNC(CCNS(c2ccc3c(CCC(N3)=O)c2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.7385 |
| logD: | 1.7371 |
| logSw: | -2.4106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.972 |
| InChI Key: | OKLRVCRMPFYBBZ-UHFFFAOYSA-N |