4-[4-(azepane-1-sulfonyl)anilino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[4-(azepane-1-sulfonyl)anilino]-4-oxobutanoic acid
4-[4-(azepane-1-sulfonyl)anilino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4478-3720 |
| Compound Name: | 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobutanoic acid |
| Molecular Weight: | 354.42 |
| Molecular Formula: | C16 H22 N2 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC(CCC(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3828 |
| logD: | -1.5666 |
| logSw: | -2.378 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.814 |
| InChI Key: | KMXUMKJCFVJLTH-UHFFFAOYSA-N |