4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3995 |
| Compound Name: | 4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 435.97 |
| Molecular Formula: | C22 H26 Cl N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8757 |
| logD: | 4.8757 |
| logSw: | -4.7852 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.259 |
| InChI Key: | UCDLNBOOELVZIJ-UHFFFAOYSA-N |