N-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine
N-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine
Compound characteristics
| Compound ID: | Y041-4259 |
| Compound Name: | N-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine |
| Molecular Weight: | 359.23 |
| Molecular Formula: | C14 H12 Cl2 N2 O3 S |
| Smiles: | Cc1c(C(NCCC(O)=O)=O)sc(c2c(cccc2[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3602 |
| logD: | -0.3355 |
| logSw: | -3.1002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.459 |
| InChI Key: | XLYZKOYZYHMQEW-UHFFFAOYSA-N |