methyl 4-{[2-(azepane-1-carbonyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(azepane-1-carbonyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonyl]amino}benzoate
methyl 4-{[2-(azepane-1-carbonyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L295-1791 |
| Compound Name: | methyl 4-{[2-(azepane-1-carbonyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonyl]amino}benzoate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C26 H30 N2 O6 S |
| Smiles: | Cc1cc2c(C)c(C(N3CCCCCC3)=O)oc2c(c1C)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4988 |
| logD: | 3.6087 |
| logSw: | -5.431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.8 |
| InChI Key: | CTEQZWZNCXGACU-UHFFFAOYSA-N |