2,2-dimethyl-5-phenyl-8-[(prop-2-en-1-yl)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-phenyl-8-[(prop-2-en-1-yl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
2,2-dimethyl-5-phenyl-8-[(prop-2-en-1-yl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
Compound ID: | 5921-0009 |
Compound Name: | 2,2-dimethyl-5-phenyl-8-[(prop-2-en-1-yl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
Molecular Weight: | 419.57 |
Molecular Formula: | C23 H21 N3 O S2 |
Smiles: | CC1(C)Cc2c(CO1)c(c1ccccc1)nc1c2c2c(c(ncn2)SCC=C)s1 |
Stereo: | ACHIRAL |
logP: | 6.2153 |
logD: | 6.2153 |
logSw: | -6.1741 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.502 |
InChI Key: | UCNWVUPGNDJUCS-UHFFFAOYSA-N |