methyl 2-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate
methyl 2-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate
Compound characteristics
| Compound ID: | Y050-0848 |
| Compound Name: | methyl 2-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C18 H19 Br N2 O5 S |
| Smiles: | CCN(CC(Nc1ccccc1C(=O)OC)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4942 |
| logD: | 3.3793 |
| logSw: | -3.7374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.964 |
| InChI Key: | RZBOMFNCPFFLMY-UHFFFAOYSA-N |