4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4010 |
| Compound Name: | 4-{[(2-methylpropyl)(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: | CC(C)CN(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5729 |
| logD: | 5.5729 |
| logSw: | -5.8423 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.229 |
| InChI Key: | CCDTXSBAGJGFON-UHFFFAOYSA-N |