3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2025 |
| Compound Name: | 3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 478.03 |
| Molecular Formula: | C23 H24 Cl N O4 S2 |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.621 |
| logD: | 5.621 |
| logSw: | -5.9312 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.558 |
| InChI Key: | ZYYPTRFFDKKXCD-KRWDZBQOSA-N |