2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0658 |
| Compound Name: | 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C23 H16 Cl N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)Nc1c2ccccc2nc(n1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9838 |
| logD: | 5.9838 |
| logSw: | -6.3429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.89 |
| InChI Key: | HQKOAFPZNGVLLB-UHFFFAOYSA-N |