3-{[(4-chlorophenyl)methyl]sulfanyl}-10,10-dimethyl-5-(propylsulfanyl)-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-chlorophenyl)methyl]sulfanyl}-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
3-{[(4-chlorophenyl)methyl]sulfanyl}-10,10-dimethyl-5-(propylsulfanyl)-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: | 8640-0021 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine |
| Molecular Weight: | 491.09 |
| Molecular Formula: | C22 H23 Cl N4 O S3 |
| Smiles: | CCCSC1=Nc2c(c3CC(C)(C)OCc3s2)c2nnc(n12)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9487 |
| logD: | 5.9487 |
| logSw: | -6.384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.721 |
| InChI Key: | JVYPNLRKJQCLFT-UHFFFAOYSA-N |