5-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4321 |
| Compound Name: | 5-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C25 H34 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8379 |
| logD: | 3.8378 |
| logSw: | -4.08 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.262 |
| InChI Key: | OXJVZINZGJRFFP-SFHVURJKSA-N |