methyl 4-{[N-(5-bromothiophene-2-sulfonyl)-N-methylglycyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-(5-bromothiophene-2-sulfonyl)-N-methylglycyl]amino}benzoate
methyl 4-{[N-(5-bromothiophene-2-sulfonyl)-N-methylglycyl]amino}benzoate
Compound characteristics
| Compound ID: | C274-3308 |
| Compound Name: | methyl 4-{[N-(5-bromothiophene-2-sulfonyl)-N-methylglycyl]amino}benzoate |
| Molecular Weight: | 447.32 |
| Molecular Formula: | C15 H15 Br N2 O5 S2 |
| Smiles: | CN(CC(Nc1ccc(cc1)C(=O)OC)=O)S(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2487 |
| logD: | 3.2484 |
| logSw: | -3.5999 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.144 |
| InChI Key: | DHVWLMZPSJFCHA-UHFFFAOYSA-N |