N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 7916-0739 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 479.96 |
| Molecular Formula: | C23 H14 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1NC(c1c(c2cccc(c2s1)[N+]([O-])=O)[Cl])=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.9661 |
| logD: | 6.966 |
| logSw: | -6.5906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.908 |
| InChI Key: | FRLQKGAEOHWHGV-UHFFFAOYSA-N |