4-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
4-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}benzamide
4-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | Y500-6543 |
| Compound Name: | 4-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 396.38 |
| Molecular Formula: | C18 H12 N4 O5 S |
| Smiles: | c1ccnc(c1)Sc1cc(cc(c1)[N+]([O-])=O)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0378 |
| logD: | 4.0304 |
| logSw: | -4.4113 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.23 |
| InChI Key: | GJIQRTKBWPFDJQ-UHFFFAOYSA-N |