2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-0027 |
| Compound Name: | 2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C25 H37 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2068 |
| logD: | 5.1973 |
| logSw: | -4.9751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.463 |
| InChI Key: | SIJZGNCWJMLCKF-IBGZPJMESA-N |