N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamide
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3461-2873 |
| Compound Name: | N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamide |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H20 N2 O7 S |
| Smiles: | CC(c1c2cc(ccc2oc1C)N(C(c1cccc(c1)[N+]([O-])=O)=O)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6631 |
| logD: | 4.6631 |
| logSw: | -4.6733 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.702 |
| InChI Key: | QCYHUHJTTKSRCN-UHFFFAOYSA-N |