3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 7888-0537 |
| Compound Name: | 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 498.34 |
| Molecular Formula: | C23 H13 Cl2 N3 O4 S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(c1)NC(c1c(c3cccc(c3s1)[N+]([O-])=O)[Cl])=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 7.0372 |
| logD: | 7.0343 |
| logSw: | -6.8245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.27 |
| InChI Key: | JAFFUNJSWMMUCL-UHFFFAOYSA-N |