ethyl N-[(3-methylthiophen-2-yl)methyl]-N-(3-nitrobenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(3-methylthiophen-2-yl)methyl]-N-(3-nitrobenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(3-methylthiophen-2-yl)methyl]-N-(3-nitrobenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-3231 |
| Compound Name: | ethyl N-[(3-methylthiophen-2-yl)methyl]-N-(3-nitrobenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C17 H20 N2 O6 S2 |
| Smiles: | CCOC(CCN(Cc1c(C)ccs1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.555 |
| logD: | 3.555 |
| logSw: | -3.7683 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.151 |
| InChI Key: | WTFWVKDXZQPAFL-UHFFFAOYSA-N |