5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8435 |
| Compound Name: | 5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 519.44 |
| Molecular Formula: | C22 H28 Cl2 N2 O6 S |
| Smiles: | CC(C)(C)NC(N(CCOC)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4235 |
| logD: | 4.4234 |
| logSw: | -4.5831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.487 |
| InChI Key: | PBPIGVHAPNCMPX-UHFFFAOYSA-N |