5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8484 |
| Compound Name: | 5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 503.44 |
| Molecular Formula: | C22 H28 Cl2 N2 O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2728 |
| logD: | 5.2727 |
| logSw: | -5.8503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.91 |
| InChI Key: | RSNPKPAPHUNGOX-UHFFFAOYSA-N |