2-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-N-octyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
2-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-N-octyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
2-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-N-octyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K784-1631 |
| Compound Name: | 2-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-N-octyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 474.06 |
| Molecular Formula: | C25 H32 Cl N3 O2 S |
| Smiles: | CCCCCCCCNC(c1ccc2c(c1)NC(C(CSCc1cccc(c1)[Cl])N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6112 |
| logD: | 6.6108 |
| logSw: | -6.2914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.624 |
| InChI Key: | KFEZOGSZTKXABX-QHCPKHFHSA-N |