propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenoxy]sulfonyl}benzoate
propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-3469 |
| Compound Name: | propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C28 H33 N O7 S |
| Smiles: | CC(C)OC(c1ccccc1S(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CC(C)(C)C)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3723 |
| logD: | 5.3723 |
| logSw: | -5.361 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.865 |
| InChI Key: | KLUKXQNNZKZGJX-UHFFFAOYSA-N |