2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3598 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 410.58 |
| Molecular Formula: | C21 H34 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(C(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9511 |
| logD: | 3.9415 |
| logSw: | -3.8726 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.904 |
| InChI Key: | OYQQAZFUAUJRNH-UHFFFAOYSA-N |