4-({4-chloro-N-[(furan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({4-chloro-N-[(furan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate
4-({4-chloro-N-[(furan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-8184 |
| Compound Name: | 4-({4-chloro-N-[(furan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 399.89 |
| Molecular Formula: | C18 H22 Cl N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CCC[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7147 |
| logD: | 2.7147 |
| logSw: | -3.1393 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.779 |
| InChI Key: | ZYHSDRMEGLCFJU-UHFFFAOYSA-N |