3-[(4-fluorophenyl)methyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-fluorophenyl)methyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F081-1289 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C22 H20 F N3 O2 S |
| Smiles: | CC1=Nc2c3cc4COC(C)(C)Cc4nc3sc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4083 |
| logD: | 4.4083 |
| logSw: | -4.4543 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.972 |
| InChI Key: | KOBJAEKONXLCDH-UHFFFAOYSA-N |