N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Formula:C21H21N3OS Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
MolecularFormula	C21H21N3OS
Smiles	C(c1ccccc1)Oc1cccc(/C=N/Nc2nc(CCCC3)c3s2)c1
InChI	InChI=1S/C21H21N3OS/c1-2-7-16(8-3-1)15-25-18-10-6-9-17(13-18)14-22-24-21-23-19-11-4-5-12-20(19)26-21/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,23,24)
InChIK	JNXSYROVQASOBW-UHFFFAOYSA-N
TotalMolweight	363.484
Molweight	363.484
MonoisotopicMass	363.140532
CLogP	7.1073
CLogS	-5.449
H Acceptors	4
H Donors	1
TotalSurfaceArea	289
Relative PSA	0.22249
PolarSurfaceArea	74.75
Druglikeness	-1.5066
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine | 2 - N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

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