5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-6538 |
| Compound Name: | 5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C23 H31 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(c2cccc(c2)F)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4291 |
| logD: | 4.4195 |
| logSw: | -4.347 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.125 |
| InChI Key: | NTJSWWFMAOMIGX-UHFFFAOYSA-N |