4-chloro-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Chemical Structure Depiction of
4-chloro-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
4-chloro-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | Y032-0578 |
| Compound Name: | 4-chloro-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide |
| Molecular Weight: | 378.75 |
| Molecular Formula: | C14 H7 Cl N4 O5 S |
| Smiles: | c1cc2c(cc1[N+]([O-])=O)sc(NC(c1ccc(cc1[N+]([O-])=O)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1649 |
| logD: | 2.9938 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.553 |
| InChI Key: | KYZDOWSNMHCAML-UHFFFAOYSA-N |