ethyl 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobut-2-enoate
Chemical Structure Depiction of
ethyl 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobut-2-enoate
ethyl 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | 3814-0436 |
| Compound Name: | ethyl 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobut-2-enoate |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | CCOC(/C=C/C(Nc1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9456 |
| logD: | 2.9277 |
| logSw: | -3.5466 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.589 |
| InChI Key: | NMSLUOCQLYNUMW-UHFFFAOYSA-N |