N-benzyl-N-(4-methylbenzene-1-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-benzyl-N-(4-methylbenzene-1-sulfonyl)-beta-alanine
N-benzyl-N-(4-methylbenzene-1-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | K783-0774 |
| Compound Name: | N-benzyl-N-(4-methylbenzene-1-sulfonyl)-beta-alanine |
| Molecular Weight: | 333.4 |
| Molecular Formula: | C17 H19 N O4 S |
| Smiles: | Cc1ccc(cc1)S(N(CCC(O)=O)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4095 |
| logD: | -0.4494 |
| logSw: | -2.4913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.976 |
| InChI Key: | FNQFFQLKZFPDBL-UHFFFAOYSA-N |