2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9877 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 412.59 |
| Molecular Formula: | C21 H36 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3203 |
| logD: | 4.3107 |
| logSw: | -4.2266 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.981 |
| InChI Key: | VDTAAGKROAZGRA-KRWDZBQOSA-N |