4-{[(4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
4-{[(4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
4-{[(4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
Compound ID: | F081-0958 |
Compound Name: | 4-{[(4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
Molecular Weight: | 411.52 |
Molecular Formula: | C21 H18 F N3 O S2 |
Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCc3ccc(cc3)F)sc1n2 |
Stereo: | ACHIRAL |
logP: | 5.0191 |
logD: | 5.0145 |
logSw: | -4.9372 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.232 |
InChI Key: | FDGUAGSYEXZPTK-UHFFFAOYSA-N |