3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-8750 |
| Compound Name: | 3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0852 |
| logD: | 4.0852 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.64 |
| InChI Key: | IKCCISLDXQSKRF-INIZCTEOSA-N |