5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9893 |
| Compound Name: | 5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 372.48 |
| Molecular Formula: | C17 H28 N2 O5 S |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(c(c1)OS(CC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3646 |
| logD: | 2.3646 |
| logSw: | -2.9833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.315 |
| InChI Key: | OPDVRIFRWUZRHB-UHFFFAOYSA-N |