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

Formula:C19H16N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (8R)-6-[(Z)-thiophen-2-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(8R)-6-[(Z)-thiophen-2-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC19H16N4O2S
SmilesO=C(CN1/N=C\c2cccs2)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@H]3C1=O
InChIInChI=1S/C19H16N4O2S/c24-18-11-23(20-9-12-4-3-7-26-12)19(25)17-8-14-13-5-1-2-6-15(13)21-16(14)10-22(17)18/h1-7,9,17,21H,8,10-11H2/t17-/m1/s1
InChIKAAQLRWLNCRZNLF-QGZVFWFLSA-N
TotalMolweight364.428
Molweight364.428
MonoisotopicMass364.099396
CLogP1.6811
CLogS-3.606
H Acceptors6
H Donors1
TotalSurfaceArea260.77
Relative PSA0.3031
PolarSurfaceArea97.01
Druglikeness8.7601
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.53846
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond2
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms14
Sp3Atoms4
Amides1
Aromatic Nitrogens1
StereoConthis enantiomer

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