1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(methanesulfonyl)piperazine
Chemical Structure Depiction of
1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(methanesulfonyl)piperazine
1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(methanesulfonyl)piperazine
Compound characteristics
| Compound ID: | 8014-2965 |
| Compound Name: | 1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(methanesulfonyl)piperazine |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C16 H19 N3 O5 S2 |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)SCc1ccco1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4984 |
| logD: | 2.4984 |
| logSw: | -2.8316 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.532 |
| InChI Key: | MKKOSSJRCYHYPB-UHFFFAOYSA-N |