4-methoxyphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate
Chemical Structure Depiction of
4-methoxyphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate
4-methoxyphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | 8009-0292 |
| Compound Name: | 4-methoxyphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate |
| Molecular Weight: | 423.91 |
| Molecular Formula: | C20 H22 Cl N O5 S |
| Smiles: | COc1ccc(cc1)OC(c1cc(ccc1[Cl])S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8719 |
| logD: | 4.8719 |
| logSw: | -4.9918 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.202 |
| InChI Key: | HMALMXGCUCEVLA-UHFFFAOYSA-N |