3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0327 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C21 H15 Cl N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2c(C1=O)nccn2)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.196 |
| logD: | 4.196 |
| logSw: | -4.4803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.419 |
| InChI Key: | QUJSFHBRLJURNK-UHFFFAOYSA-N |