8-{[(4-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8-{[(4-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | 8640-0658 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
| Molecular Weight: | 484.08 |
| Molecular Formula: | C25 H26 Cl N3 O S2 |
| Smiles: | CC(C)Cc1c2COC(C)(C)Cc2c2c3c(c(ncn3)SCc3ccc(cc3)[Cl])sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.3502 |
| logD: | 7.3502 |
| logSw: | -6.7195 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.997 |
| InChI Key: | KWHXTQQSQGQREH-UHFFFAOYSA-N |