5-(benzylsulfanyl)-3-(ethylsulfanyl)-10,10-dimethyl-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
5-(benzylsulfanyl)-3-(ethylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
5-(benzylsulfanyl)-3-(ethylsulfanyl)-10,10-dimethyl-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: | 8640-0016 |
| Compound Name: | 5-(benzylsulfanyl)-3-(ethylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C21 H22 N4 O S3 |
| Smiles: | CCSc1nnc2c3c4CC(C)(C)OCc4sc3N=C(n12)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9138 |
| logD: | 4.9138 |
| logSw: | -4.9148 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.721 |
| InChI Key: | LBDBPSMQAQVNTN-UHFFFAOYSA-N |