3-[(E)-(1-benzyl-2-oxoindol-3-ylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C27H18N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-(1-benzyl-2-oxoindol-3-ylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(E)-(1-benzyl-2-oxoindol-3-ylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C27H18N4O2S
Smiles	O=C1N(Cc2ccccc2)c(cccc2)c2/C1=N\N(C=Nc1c2c(-c3ccccc3)cs1)C2=O
InChI	InChI=1S/C27H18N4O2S/c32-26-23-21(19-11-5-2-6-12-19)16-34-25(23)28-17-31(26)29-24-20-13-7-8-14-22(20)30(27(24)33)15-18-9-3-1-4-10-18/h1-14,16-17H,15H2
InChIK	LTIYRHJRKFSUTB-UHFFFAOYSA-N
TotalMolweight	462.532
Molweight	462.532
MonoisotopicMass	462.115046
CLogP	4.5068
CLogS	-7.482
H Acceptors	6
TotalSurfaceArea	339.07
Relative PSA	0.22579
PolarSurfaceArea	93.58
Druglikeness	6.9527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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