2,2-dimethyl-5-(propan-2-yl)-8-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
2,2-dimethyl-5-(propan-2-yl)-8-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
2,2-dimethyl-5-(propan-2-yl)-8-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
Compound ID: | 8640-0652 |
Compound Name: | 2,2-dimethyl-5-(propan-2-yl)-8-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
Molecular Weight: | 493.69 |
Molecular Formula: | C27 H31 N3 O2 S2 |
Smiles: | CC(C)c1c2COC(C)(C)Cc2c2c3c(c(ncn3)SCc3ccc(cc3)OC(C)C)sc2n1 |
Stereo: | ACHIRAL |
logP: | 7.3958 |
logD: | 7.3958 |
logSw: | -6.1595 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.305 |
InChI Key: | OCBLURBGEYYPHD-UHFFFAOYSA-N |