5-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-0349 |
| Compound Name: | 5-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C20 H28 N2 O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccco2)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0733 |
| logD: | 3.0733 |
| logSw: | -3.4697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.991 |
| InChI Key: | NBTQMJPYXNXYBU-UHFFFAOYSA-N |