8-benzyl-1-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
8-benzyl-1-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
8-benzyl-1-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 6280-0662 |
| Compound Name: | 8-benzyl-1-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 565.72 |
| Molecular Formula: | C31 H27 N5 O2 S2 |
| Smiles: | COc1ccc(CSc2nnc3N(C(c4c5CCN(Cc6ccccc6)Cc5sc4n23)=O)c2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3533 |
| logD: | 5.331 |
| logSw: | -5.3576 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.09 |
| InChI Key: | IFWWDHYYWMCJDC-UHFFFAOYSA-N |