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(14E)-14-[(4-hydroxy-3-nitrophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C25H17N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[(4-hydroxy-3-nitrophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is a drug-like molecule.
MolName(14E)-14-[(4-hydroxy-3-nitrophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC25H17N3O4S2
Smiles[O-][N+](c(cc(/C=C1/SC2=NC(c3c(CC4)cccc3)=C4C(c3cccs3)N2C1=O)cc1)c1O)=O
InChIInChI=1S/C25H17N3O4S2/c29-19-10-7-14(12-18(19)28(31)32)13-21-24(30)27-23(20-6-3-11-33-20)17-9-8-15-4-1-2-5-16(15)22(17)26-25(27)34-21/h1-7,10-13,23,29H,8-9H2/t23-/m0/s1
InChIKHSAIMDQWNORJNI-QHCPKHFHSA-N
TotalMolweight487.559
Molweight487.559
MonoisotopicMass487.066047
CLogP4.4067
CLogS-6.28
H Acceptors7
H Donors1
TotalSurfaceArea334.4
Relative PSA0.32736
PolarSurfaceArea152.26
Druglikeness-1.4496
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.44118
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Amides1
AcidicOxygens1
StereoConracemate

Request More Details | (14E)-14-[(4-hydroxy-3-nitrophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one


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