[4-(3-chlorobenzene-1-sulfonyl)-3-nitrophenyl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[4-(3-chlorobenzene-1-sulfonyl)-3-nitrophenyl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
[4-(3-chlorobenzene-1-sulfonyl)-3-nitrophenyl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | K781-2528 |
| Compound Name: | [4-(3-chlorobenzene-1-sulfonyl)-3-nitrophenyl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 590.05 |
| Molecular Formula: | C27 H28 Cl N3 O8 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(c2ccc(c(c2)[N+]([O-])=O)S(c2cccc(c2)[Cl])(=O)=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6155 |
| logD: | 3.415 |
| logSw: | -4.0127 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 106.073 |
| InChI Key: | VZBRLVBZCDKCGX-UHFFFAOYSA-N |