3-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)(4-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-5971 |
| Compound Name: | 3-{[N-(butan-2-yl)(4-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(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9184 |
| logD: | 3.9184 |
| logSw: | -4.0724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.251 |
| InChI Key: | NCFBTFDHTHXTCZ-INIZCTEOSA-N |