N-(4-chloro-2-fluorophenyl)-4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3207 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 463.87 |
| Molecular Formula: | C20 H15 Cl F N3 O5 S |
| Smiles: | C(c1ccco1)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6921 |
| logD: | 3.747 |
| logSw: | -5.0391 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.661 |
| InChI Key: | KBNPAKLBKZGZEP-UHFFFAOYSA-N |