5-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-6037 |
| Compound Name: | 5-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 450.55 |
| Molecular Formula: | C22 H30 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(CC)(=O)=O)OC)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6977 |
| logD: | 3.6977 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.968 |
| InChI Key: | BSRBABYIRRXTJV-INIZCTEOSA-N |