5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-2786 |
| Compound Name: | 5-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C19 H32 N2 O6 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cc(CN(CCOC)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.535 |
| logD: | 2.535 |
| logSw: | -3.0938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.759 |
| InChI Key: | ZFYGTYJNKOLAQY-UHFFFAOYSA-N |