4-({3-cyclopentyl-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({3-cyclopentyl-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate
4-({3-cyclopentyl-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5136 |
| Compound Name: | 4-({3-cyclopentyl-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C22 H29 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CCC2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7969 |
| logD: | 3.7969 |
| logSw: | -3.8476 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.066 |
| InChI Key: | BVLFPTXRSYOQPS-UHFFFAOYSA-N |