2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-0437 |
| Compound Name: | 2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C25 H37 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(cc1)OC)(=O)=O)N(CC)CC)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0588 |
| logD: | 5.048 |
| logSw: | -4.7293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.946 |
| InChI Key: | VVKHOVYVBPJJJD-IBGZPJMESA-N |