3-chloro-N-[(4-methoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[(4-methoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-[(4-methoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y500-0893 |
| Compound Name: | 3-chloro-N-[(4-methoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 376.82 |
| Molecular Formula: | C17 H13 Cl N2 O4 S |
| Smiles: | COc1ccc(CNC(c2c(c3ccc(cc3s2)[N+]([O-])=O)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4954 |
| logD: | 4.4954 |
| logSw: | -4.8624 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.324 |
| InChI Key: | POCCAQFELPMNPP-UHFFFAOYSA-N |