4-(benzylsulfanyl)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
4-(benzylsulfanyl)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | F081-1012 |
| Compound Name: | 4-(benzylsulfanyl)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
| Molecular Weight: | 407.56 |
| Molecular Formula: | C22 H21 N3 O S2 |
| Smiles: | Cc1nc(c2c(c3cc4COC(C)(C)Cc4nc3s2)n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3089 |
| logD: | 5.3055 |
| logSw: | -5.5324 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.607 |
| InChI Key: | ODMAMOGBLMENRG-UHFFFAOYSA-N |