4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5513 |
| Compound Name: | 4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 468.01 |
| Molecular Formula: | C23 H30 Cl N O5 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)OC)(=O)=O)[Cl])C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7211 |
| logD: | 5.7211 |
| logSw: | -5.9078 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.329 |
| InChI Key: | VFJNIPMULIBPFR-UHFFFAOYSA-N |