N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 3953-1435 |
| Compound Name: | N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3253 |
| logD: | 4.3253 |
| logSw: | -4.3477 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.576 |
| InChI Key: | ZJPSJJDXXDIJSJ-UHFFFAOYSA-N |