4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1556 |
| Compound Name: | 4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 497.01 |
| Molecular Formula: | C23 H29 Cl N2 O6 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5929 |
| logD: | 3.5928 |
| logSw: | -3.9785 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.624 |
| InChI Key: | HRQICYNTBARTTG-UHFFFAOYSA-N |