3,4-dimethylphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate
3,4-dimethylphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | 3019-0107 |
| Compound Name: | 3,4-dimethylphenyl 5-(azepane-1-sulfonyl)-2-chlorobenzoate |
| Molecular Weight: | 421.94 |
| Molecular Formula: | C21 H24 Cl N O4 S |
| Smiles: | Cc1ccc(cc1C)OC(c1cc(ccc1[Cl])S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8399 |
| logD: | 5.8399 |
| logSw: | -5.9604 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.658 |
| InChI Key: | MMDCVXZDJBRSOV-UHFFFAOYSA-N |