1-(4-chlorophenyl)-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8640-0604 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 498.06 |
| Molecular Formula: | C25 H24 Cl N3 O2 S2 |
| Smiles: | CC(C)c1c2COC(C)(C)Cc2c2c3c(c(ncn3)SCC(c3ccc(cc3)[Cl])=O)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.1267 |
| logD: | 7.1267 |
| logSw: | -6.536 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.749 |
| InChI Key: | KJEMHMRGHBIVIC-UHFFFAOYSA-N |