5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4414 |
| Compound Name: | 5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 488.6 |
| Molecular Formula: | C25 H32 N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(C2CC2)C(CC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6898 |
| logD: | 3.6897 |
| logSw: | -4.0613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.238 |
| InChI Key: | VIGLVFQKMVLBQQ-UHFFFAOYSA-N |