ethyl 3-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate
ethyl 3-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L295-0051 |
| Compound Name: | ethyl 3-{[3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonyl]amino}benzoate |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | CCOC(c1cccc(c1)NS(c1c(C)c(C)cc2c(C)c(C(N3CCCC3)=O)oc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3738 |
| logD: | 4.537 |
| logSw: | -5.4816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.415 |
| InChI Key: | BQTDKEQIIXHNBB-UHFFFAOYSA-N |