propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenoxy]sulfonyl}benzoate
propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V029-4582 |
| Compound Name: | propan-2-yl 2-{[4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C27 H31 N O7 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)OS(c1ccccc1C(=O)OC(C)C)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8567 |
| logD: | 4.8567 |
| logSw: | -4.5692 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.865 |
| InChI Key: | HPDIPTMOAPJFEV-UHFFFAOYSA-N |