4-chloro-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-9864 |
| Compound Name: | 4-chloro-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 511.04 |
| Molecular Formula: | C24 H31 Cl N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CCOC)C(CC(C)(C)C)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1086 |
| logD: | 4.1085 |
| logSw: | -4.4361 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.624 |
| InChI Key: | ZITJNNGPAZPDIV-UHFFFAOYSA-N |