N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 7916-1138 |
| Compound Name: | N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 484.32 |
| Molecular Formula: | C22 H11 Cl2 N3 O4 S |
| Smiles: | c1ccc2c(c1)nc(c1ccc(c(c1)NC(c1c(c3cccc(c3s1)[N+]([O-])=O)[Cl])=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 6.8218 |
| logD: | 6.8189 |
| logSw: | -6.8715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.27 |
| InChI Key: | XBNDBVLFVBOOKS-UHFFFAOYSA-N |