methyl 2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoate
Chemical Structure Depiction of
methyl 2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoate
methyl 2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoate
Compound characteristics
| Compound ID: | L586-0924 |
| Compound Name: | methyl 2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoate |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | COC(c1ccccc1NC(c1cc(ccc1[Cl])S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3138 |
| logD: | 2.6111 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.848 |
| InChI Key: | NEIKMQHIMDHXPT-UHFFFAOYSA-N |