3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4117 |
| Compound Name: | 3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 469 |
| Molecular Formula: | C22 H29 Cl N2 O5 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CCOC)C(NC(C)(C)C)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2064 |
| logD: | 4.2064 |
| logSw: | -4.4264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.77 |
| InChI Key: | ZFPKVYOMNOTFEJ-UHFFFAOYSA-N |