4-{[(2-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | F081-0963 |
| Compound Name: | 4-{[(2-chlorophenyl)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: | 427.97 |
| Molecular Formula: | C21 H18 Cl N3 O S2 |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCc3ccccc3[Cl])sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 5.9263 |
| logD: | 5.9218 |
| logSw: | -6.1134 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.232 |
| InChI Key: | XCKLSLQZJJTDAQ-UHFFFAOYSA-N |