2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl methanesulfonate
Chemical Structure Depiction of
2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl methanesulfonate
2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V026-2477 |
| Compound Name: | 2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl methanesulfonate |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C20 H32 N2 O4 S |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(CC(C)C)=O)c(c1)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.758 |
| logD: | 3.7484 |
| logSw: | -3.8699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.47 |
| InChI Key: | QSXUEHUMPKRLAI-UHFFFAOYSA-N |