methyl 2-[3-(5-bromothiophene-2-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(5-bromothiophene-2-sulfonyl)propanamido]benzoate
methyl 2-[3-(5-bromothiophene-2-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | C224-4228 |
| Compound Name: | methyl 2-[3-(5-bromothiophene-2-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 432.31 |
| Molecular Formula: | C15 H14 Br N O5 S2 |
| Smiles: | COC(c1ccccc1NC(CCS(c1ccc(s1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6845 |
| logD: | 2.637 |
| logSw: | -3.3662 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.647 |
| InChI Key: | VUFBRXPQHMAIBG-UHFFFAOYSA-N |