2-[(3-chlorophenyl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-[(3-chlorophenyl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]quinoline-4-carboxamide
2-[(3-chlorophenyl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K784-7223 |
| Compound Name: | 2-[(3-chlorophenyl)sulfanyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]quinoline-4-carboxamide |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C25 H19 Cl N2 O3 S |
| Smiles: | C(C1COc2ccccc2O1)NC(c1cc(nc2ccccc12)Sc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1561 |
| logD: | 6.1561 |
| logSw: | -6.2591 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.751 |
| InChI Key: | GUMGOWLFSANPOM-KRWDZBQOSA-N |