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(14E)-11-(4-bromophenyl)-14-(thiophen-2-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C25H17N2OBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(4-bromophenyl)-14-(thiophen-2-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14E)-11-(4-bromophenyl)-14-(thiophen-2-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC25H17N2OBrS2
SmilesO=C(/C(/S1)=C\c2cccs2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1Br
InChIInChI=1S/C25H17BrN2OS2/c26-17-10-7-16(8-11-17)23-20-12-9-15-4-1-2-6-19(15)22(20)27-25-28(23)24(29)21(31-25)14-18-5-3-13-30-18/h1-8,10-11,13-14,23H,9,12H2/t23-/m1/s1
InChIKBPNVXJPBOFTQNO-HSZRJFAPSA-N
TotalMolweight505.459
Molweight505.459
MonoisotopicMass503.996564
CLogP6.3992
CLogS-6.95
H Acceptors3
TotalSurfaceArea323.01
Relative PSA0.20417
PolarSurfaceArea86.21
Druglikeness1.7917
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41935
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms2
Amides1
StereoConracemate

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