5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4072 |
| Compound Name: | 5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 504.69 |
| Molecular Formula: | C27 H40 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(CC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9494 |
| logD: | 5.9387 |
| logSw: | -5.5121 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.065 |
| InChI Key: | XRHSZCAVZSYWKM-UHFFFAOYSA-N |