N-[2-(4-chlorophenoxy)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[2-(4-chlorophenoxy)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
N-[2-(4-chlorophenoxy)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 3819-1326 |
| Compound Name: | N-[2-(4-chlorophenoxy)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C19 H23 Cl N4 O5 S |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)NCCOc1ccc(cc1)[Cl])[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7391 |
| logD: | 3.7391 |
| logSw: | -4.2379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.85 |
| InChI Key: | RHVADPDPWZOAKE-UHFFFAOYSA-N |