2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-1928 |
| Compound Name: | 2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 426.62 |
| Molecular Formula: | C22 H38 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7219 |
| logD: | 4.7124 |
| logSw: | -4.5117 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.453 |
| InChI Key: | JDBKKKNGCCTLCH-SFHVURJKSA-N |