methyl 4-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate
methyl 4-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L295-0219 |
| Compound Name: | methyl 4-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C24 H26 N2 O6 S |
| Smiles: | Cc1cc2c(C)c(C(N3CCCC3)=O)oc2c(c1C)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7156 |
| logD: | 2.8255 |
| logSw: | -4.4574 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.835 |
| InChI Key: | KVTGGVFEBGDXJR-UHFFFAOYSA-N |