2-({(benzenesulfonyl)[2-(dimethylamino)ethyl]amino}methyl)-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-({(benzenesulfonyl)[2-(dimethylamino)ethyl]amino}methyl)-5-(diethylamino)phenyl ethanesulfonate
2-({(benzenesulfonyl)[2-(dimethylamino)ethyl]amino}methyl)-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-7604 |
| Compound Name: | 2-({(benzenesulfonyl)[2-(dimethylamino)ethyl]amino}methyl)-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C23 H35 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCN(C)C)S(c2ccccc2)(=O)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3384 |
| logD: | 2.793 |
| logSw: | -3.5929 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.39 |
| InChI Key: | POCKKYUDILMOKQ-UHFFFAOYSA-N |