1-(4-chlorophenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-(4-chlorophenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | F081-1420 |
| Compound Name: | 1-(4-chlorophenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCC(c3ccc(cc3)[Cl])=O)oc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.5743 |
| logD: | 4.5733 |
| logSw: | -4.8044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.967 |
| InChI Key: | WTBXFBQQWOVDMV-UHFFFAOYSA-N |