ethyl 4-{[N-(5-bromothiophene-2-sulfonyl)-beta-alanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[N-(5-bromothiophene-2-sulfonyl)-beta-alanyl]amino}benzoate
ethyl 4-{[N-(5-bromothiophene-2-sulfonyl)-beta-alanyl]amino}benzoate
Compound characteristics
| Compound ID: | C224-3226 |
| Compound Name: | ethyl 4-{[N-(5-bromothiophene-2-sulfonyl)-beta-alanyl]amino}benzoate |
| Molecular Weight: | 461.35 |
| Molecular Formula: | C16 H17 Br N2 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCNS(c1ccc(s1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5941 |
| logD: | 3.5934 |
| logSw: | -3.7484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.76 |
| InChI Key: | DKEGMFROOUPWNK-UHFFFAOYSA-N |