4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4007 |
| Compound Name: | 4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 450 |
| Molecular Formula: | C23 H28 Cl N O4 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1ccc(CN(C2CC2)C(CC(C)(C)C)=O)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3278 |
| logD: | 5.3278 |
| logSw: | -5.8133 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.259 |
| InChI Key: | DNWTTXSEQULDEW-UHFFFAOYSA-N |