N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8010-6594 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C21 H28 N4 O6 S |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(C)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2027 |
| logD: | 2.2027 |
| logSw: | -2.8225 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.693 |
| InChI Key: | XEDVNMUPXDKOKO-UHFFFAOYSA-N |