3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Compound characteristics
| Compound ID: | 8020-0469 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
| Molecular Weight: | 512.05 |
| Molecular Formula: | C24 H22 Cl N5 O2 S2 |
| Smiles: | CC1(C)Cc2c3c4nnc(n4C(NCc4ccco4)=Nc3sc2CO1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3613 |
| logD: | 5.3612 |
| logSw: | -6.2395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.021 |
| InChI Key: | OGLQTQAPCAFIDH-UHFFFAOYSA-N |