4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3191 |
| Compound Name: | 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide |
| Molecular Weight: | 517.92 |
| Molecular Formula: | C23 H17 Cl F N3 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8545 |
| logD: | 3.9095 |
| logSw: | -5.05 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.028 |
| InChI Key: | QJQWOJHNTLICKO-UHFFFAOYSA-N |