3,7-bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Chemical Structure Depiction of
3,7-bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
3,7-bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Compound characteristics
| Compound ID: | 8016-4672 |
| Compound Name: | 3,7-bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine |
| Molecular Weight: | 682.5 |
| Molecular Formula: | C27 H20 Cl4 N6 O S3 |
| Smiles: | CC1(C)Cc2c3c4nnc(n4c4nnc(n4c3sc2CO1)SCc1ccc(cc1[Cl])[Cl])SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.9106 |
| logD: | 8.9106 |
| logSw: | -6.7822 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.541 |
| InChI Key: | HSKIAHZKRMXDQA-UHFFFAOYSA-N |