2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethanesulfonate
2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9531 |
| Compound Name: | 2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 424.6 |
| Molecular Formula: | C22 H36 N2 O4 S |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(CC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5738 |
| logD: | 4.5643 |
| logSw: | -4.5265 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.429 |
| InChI Key: | GWTLXVCXVNCGPJ-UHFFFAOYSA-N |