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12,13-diphenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

Formula:C34H23N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 12,13-diphenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is not a drug-like molecule.
MolName12,13-diphenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
MolecularFormulaC34H23N5O2S
SmilesO=C(c(sc1nnc(-c2ccccc2)c(-c2ccccc2)c11)c1N=C1)N1/N=C\c(cc1)ccc1OCc1ccccc1
InChIInChI=1S/C34H23N5O2S/c40-34-32-31(35-22-39(34)36-20-23-16-18-27(19-17-23)41-21-24-10-4-1-5-11-24)29-28(25-12-6-2-7-13-25)30(37-38-33(29)42-32)26-14-8-3-9-15-26/h1-20,22H,21H2
InChIKAHVMMFGJNSPOOP-UHFFFAOYSA-N
TotalMolweight565.656
Molweight565.656
MonoisotopicMass565.157245
CLogP6.5173
CLogS-9.834
H Acceptors7
TotalSurfaceArea428.19
Relative PSA0.21465
PolarSurfaceArea108.28
Druglikeness5.2707
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.54762
Fragments1
Non HAtoms42
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures7
Small Rings7
Aromatic Rings6
Aromatic Atoms33
Sp3Atoms2
Symmetricatoms8
Aromatic Nitrogens2
StereoCon

Request More Details | 12,13-diphenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one


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