4-[(pyrimidin-2-yl)amino]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one
Chemical Structure Depiction of
4-[(pyrimidin-2-yl)amino]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one
4-[(pyrimidin-2-yl)amino]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one
Compound characteristics
Compound ID: | Y041-2994 |
Compound Name: | 4-[(pyrimidin-2-yl)amino]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one |
Molecular Weight: | 335.41 |
Molecular Formula: | C19 H21 N5 O |
Smiles: | C(CC(N1CCc2c(C1)c1ccccc1[nH]2)=O)CNc1ncccn1 |
Stereo: | ACHIRAL |
logP: | 0.8804 |
logD: | 0.88 |
logSw: | -2.122 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.788 |
InChI Key: | RUJDFHXNUWFFTM-UHFFFAOYSA-N |