3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y204-5658 |
| Compound Name: | 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 390.84 |
| Molecular Formula: | C18 H15 Cl N2 O4 S |
| Smiles: | COc1ccc(CCNC(c2c(c3ccc(cc3s2)[N+]([O-])=O)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4289 |
| logD: | 4.4289 |
| logSw: | -4.7463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.165 |
| InChI Key: | UMUDAURGIWJRNF-UHFFFAOYSA-N |