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 |