2-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-N-[(4-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
2-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-N-[(4-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
2-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-N-[(4-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K976-0441 |
| Compound Name: | 2-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-N-[(4-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 504.41 |
| Molecular Formula: | C24 H20 Cl2 F N3 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1ccc2c(c1)NC(C(CSCc1c(cccc1[Cl])F)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4361 |
| logD: | 5.4357 |
| logSw: | -6.0286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.511 |
| InChI Key: | HJNHAFQHGKTJHT-QFIPXVFZSA-N |