5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-5096 |
| Compound Name: | 5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C19 H32 N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC(C)C)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4043 |
| logD: | 3.4042 |
| logSw: | -3.8171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.513 |
| InChI Key: | VRNOCMALARAUNR-UHFFFAOYSA-N |