4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3601 |
| Compound Name: | 4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 495.04 |
| Molecular Formula: | C24 H31 Cl N2 O5 S |
| Smiles: | CC(C)CC(N(CC(C)C)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8562 |
| logD: | 4.8561 |
| logSw: | -4.8043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.304 |
| InChI Key: | JCNQRWXLYPVSMG-UHFFFAOYSA-N |