2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | F081-0925 |
| Compound Name: | 2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
| Molecular Weight: | 387.56 |
| Molecular Formula: | C20 H25 N3 O S2 |
| Smiles: | CCCCCSc1c2c(c3cc4COC(C)(C)Cc4nc3s2)nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2296 |
| logD: | 6.2263 |
| logSw: | -5.3354 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.878 |
| InChI Key: | ZSYQWMHQXKTQFD-UHFFFAOYSA-N |