methyl 4-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate
methyl 4-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate
Compound characteristics
| Compound ID: | Y050-0849 |
| Compound Name: | methyl 4-{[N-(4-bromobenzene-1-sulfonyl)-N-ethylglycyl]amino}benzoate |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C18 H19 Br N2 O5 S |
| Smiles: | CCN(CC(Nc1ccc(cc1)C(=O)OC)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8604 |
| logD: | 3.8596 |
| logSw: | -4.0377 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.662 |
| InChI Key: | LOIRYJQTRZCEPM-UHFFFAOYSA-N |