5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8485 |
| Compound Name: | 5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 500.44 |
| Molecular Formula: | C23 H27 Cl2 N O5 S |
| Smiles: | CC(C)(C)CC(N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5868 |
| logD: | 5.5868 |
| logSw: | -5.9445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.976 |
| InChI Key: | RWTRYTLMQOIGEM-UHFFFAOYSA-N |