1-(4-bromophenyl)-2-[(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | F081-1073 |
| Compound Name: | 1-(4-bromophenyl)-2-[(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 514.46 |
| Molecular Formula: | C23 H20 Br N3 O2 S2 |
| Smiles: | Cc1nc(c2c(c3cc4COC(C)(C)Cc4nc3s2)n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9455 |
| logD: | 5.9448 |
| logSw: | -5.5528 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.854 |
| InChI Key: | FSGBOTPZDKWASY-UHFFFAOYSA-N |