1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-pyridin-3-ylthiourea

Formula:C27H24N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-pyridin-3-ylthiourea is not a drug-like molecule.

MolName	1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-pyridin-3-ylthiourea
MolecularFormula	C27H24N4O2S
Smiles	S=C(Nc1cnccc1)N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1
InChI	InChI=1S/C27H24N4O2S/c34-27(30-24-12-7-15-28-18-24)31-29-17-23-13-14-25(32-19-21-8-3-1-4-9-21)26(16-23)33-20-22-10-5-2-6-11-22/h1-18H,19-20H2,(H2,30,31,34)
InChIK	GNXRCHZVZVSATK-UHFFFAOYSA-N
TotalMolweight	468.58
Molweight	468.58
MonoisotopicMass	468.161996
CLogP	5.2875
CLogS	-6.208
H Acceptors	6
H Donors	2
TotalSurfaceArea	379.21
Relative PSA	0.2463
PolarSurfaceArea	99.86
Druglikeness	1.8021
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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