3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4070 |
| Compound Name: | 3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C22 H22 Cl N O5 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3978 |
| logD: | 4.3978 |
| logSw: | -4.4506 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.533 |
| InChI Key: | NCHNBQDMFBCUKE-UHFFFAOYSA-N |