4-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
4-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
4-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | F081-0956 |
| Compound Name: | 4-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
| Molecular Weight: | 462.42 |
| Molecular Formula: | C21 H17 Cl2 N3 O S2 |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCc3ccc(cc3[Cl])[Cl])sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 6.6758 |
| logD: | 6.6713 |
| logSw: | -6.4292 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.232 |
| InChI Key: | QSTSJNMLSKHYPF-UHFFFAOYSA-N |