1-methyl-4-{4-nitro-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}piperazine
Chemical Structure Depiction of
1-methyl-4-{4-nitro-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}piperazine
1-methyl-4-{4-nitro-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}piperazine
Compound characteristics
| Compound ID: | 8014-0486 |
| Compound Name: | 1-methyl-4-{4-nitro-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]phenyl}piperazine |
| Molecular Weight: | 397.46 |
| Molecular Formula: | C18 H19 N7 O2 S |
| Smiles: | CN1CCN(CC1)c1ccc(c(c1)Sc1nnnn1c1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8541 |
| logD: | 2.286 |
| logSw: | -3.4456 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.898 |
| InChI Key: | CAGOJVNHQJLVOK-UHFFFAOYSA-N |