1,4-phenylene bis[5-(azepane-1-sulfonyl)-2-chlorobenzoate]
Chemical Structure Depiction of
1,4-phenylene bis[5-(azepane-1-sulfonyl)-2-chlorobenzoate]
1,4-phenylene bis[5-(azepane-1-sulfonyl)-2-chlorobenzoate]
Compound characteristics
| Compound ID: | 8008-3202 |
| Compound Name: | 1,4-phenylene bis[5-(azepane-1-sulfonyl)-2-chlorobenzoate] |
| Molecular Weight: | 709.67 |
| Molecular Formula: | C32 H34 Cl2 N2 O8 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(c(c1)C(=O)Oc1ccc(cc1)OC(c1cc(ccc1[Cl])S(N1CCCCCC1)(=O)=O)=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5892 |
| logD: | 7.5892 |
| logSw: | -6.8634 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 105.078 |
| InChI Key: | YRTRUKZBVVQWJE-UHFFFAOYSA-N |