2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4060 |
| Compound Name: | 2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 545.1 |
| Molecular Formula: | C28 H33 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(c2ccccc2[Cl])=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9574 |
| logD: | 5.9467 |
| logSw: | -5.9096 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.321 |
| InChI Key: | GKKIGYCTSJRFRH-UHFFFAOYSA-N |