4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3948 |
| Compound Name: | 4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 450.98 |
| Molecular Formula: | C22 H27 Cl N2 O4 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1ccc(CN(C2CC2)C(NC(C)(C)C)=O)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8777 |
| logD: | 4.8775 |
| logSw: | -4.8032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.753 |
| InChI Key: | SSBMMGFILMOMLL-UHFFFAOYSA-N |