N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

Formula:C30H22N4OS Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
MolecularFormula	C30H22N4OS
Smiles	C(c1cccc2ccccc12)Oc1cccc(/C=N\Nc2c(c(-c3ccccc3)cs3)c3ncn2)c1
InChI	InChI=1S/C30H22N4OS/c1-2-9-23(10-3-1)27-19-36-30-28(27)29(31-20-32-30)34-33-17-21-8-6-14-25(16-21)35-18-24-13-7-12-22-11-4-5-15-26(22)24/h1-17,19-20H,18H2,(H,31,32,34)
InChIK	HRGFRYDJOUNENJ-UHFFFAOYSA-N
TotalMolweight	486.598
Molweight	486.598
MonoisotopicMass	486.151431
CLogP	8.8662
CLogS	-9.669
H Acceptors	5
H Donors	1
TotalSurfaceArea	375.18
Relative PSA	0.20062
PolarSurfaceArea	87.64
Druglikeness	2.3498
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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