Menu

(2R,8S)-2-phenyl-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Formula:C26H21N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,8S)-2-phenyl-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
MolName(2R,8S)-2-phenyl-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC26H21N5O2
SmilesO=C(CN(C([C@@H]1Cc2c3[nH]c4c2cccc4)=O)/N=C\c2ccncc2)N1[C@@H]3c1ccccc1
InChIInChI=1S/C26H21N5O2/c32-23-16-30(28-15-17-10-12-27-13-11-17)26(33)22-14-20-19-8-4-5-9-21(19)29-24(20)25(31(22)23)18-6-2-1-3-7-18/h1-13,15,22,25,29H,14,16H2/t22-,25+/m0/s1
InChIKLPMDKAJXZNVCJP-WIOPSUGQSA-N
TotalMolweight435.486
Molweight435.486
MonoisotopicMass435.169525
CLogP2.9418
CLogS-4.061
H Acceptors7
H Donors1
TotalSurfaceArea322.09
Relative PSA0.21624
PolarSurfaceArea81.66
Druglikeness7.2432
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms7
Electronegative Atoms7
StereoCenters2
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms4
Symmetricatoms4
Amides1
Aromatic Nitrogens2
StereoConthis enantiomer

Request More Details | (2R,8S)-2-phenyl-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments