2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-6194 |
| Compound Name: | 2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccccc1CN(Cc1ccco1)C(NC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0324 |
| logD: | 4.0323 |
| logSw: | -4.0955 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.275 |
| InChI Key: | MXNVZKDNSCIPLO-UHFFFAOYSA-N |