5-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Chemical Structure Depiction of
5-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
5-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Compound characteristics
Compound ID: | 6940-0016 |
Compound Name: | 5-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine |
Molecular Weight: | 372.49 |
Molecular Formula: | C22 H20 N4 S |
Smiles: | C=CCNc1c2c(c3c4CCCCc4c(c4ccccc4)nc3s2)ncn1 |
Stereo: | ACHIRAL |
logP: | 5.6037 |
logD: | 5.6036 |
logSw: | -6.2531 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.661 |
InChI Key: | ZJQHYRFOJQGRHZ-UHFFFAOYSA-N |