1-(4-bromophenyl)-2-[(8,8-dimethyl-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-[(8,8-dimethyl-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-[(8,8-dimethyl-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: | F081-0791 |
| Compound Name: | 1-(4-bromophenyl)-2-[(8,8-dimethyl-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: | 500.43 |
| Molecular Formula: | C22 H18 Br N3 O2 S2 |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCC(c3ccc(cc3)[Br])=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 5.6266 |
| logD: | 5.6221 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.479 |
| InChI Key: | BUMQOCDLUKCKPJ-UHFFFAOYSA-N |