3-{[(4-methoxyphenyl)methyl]sulfanyl}-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
3-{[(4-methoxyphenyl)methyl]sulfanyl}-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Compound characteristics
| Compound ID: | 6280-0772 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C21 H22 N4 O2 S3 |
| Smiles: | CC1(C)Cc2c3c4nnc(n4C(=Nc3sc2CO1)SC)SCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4522 |
| logD: | 4.4522 |
| logSw: | -4.6695 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.265 |
| InChI Key: | AAXFDAZUEUNZKE-UHFFFAOYSA-N |