8,8-dimethyl-3-({4-[(propan-2-yl)oxy]phenyl}methyl)-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
8,8-dimethyl-3-({4-[(propan-2-yl)oxy]phenyl}methyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
8,8-dimethyl-3-({4-[(propan-2-yl)oxy]phenyl}methyl)-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: | F081-1314 |
| Compound Name: | 8,8-dimethyl-3-({4-[(propan-2-yl)oxy]phenyl}methyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CC(C)Oc1ccc(CN2C=Nc3c4cc5COC(C)(C)Cc5nc4sc3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2889 |
| logD: | 4.2889 |
| logSw: | -4.4504 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.728 |
| InChI Key: | GRJVESIJPRVMJR-UHFFFAOYSA-N |