3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2084 |
| Compound Name: | 3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 461.96 |
| Molecular Formula: | C23 H24 Cl N O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9015 |
| logD: | 4.9015 |
| logSw: | -4.9282 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.118 |
| InChI Key: | DKBBAEIMSCSTSL-KRWDZBQOSA-N |