3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0322 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C24 H15 Cl F N3 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2c3cccnc3sc2C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.8743 |
| logD: | 5.8743 |
| logSw: | -6.2194 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.787 |
| InChI Key: | BQMYQSBDLUOHIO-UHFFFAOYSA-N |