5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

Formula:C17H15N3O2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
MolecularFormula	C17H15N3O2S2
Smiles	C1COc(cc(cc2)-c3cnc(N/N=C\c4cccs4)s3)c2OC1
InChI	InChI=1S/C17H15N3O2S2/c1-3-13(23-8-1)10-19-20-17-18-11-16(24-17)12-4-5-14-15(9-12)22-7-2-6-21-14/h1,3-5,8-11H,2,6-7H2,(H,18,20)
InChIK	GQFJBQIVMHABOG-UHFFFAOYSA-N
TotalMolweight	357.457
Molweight	357.457
MonoisotopicMass	357.060567
CLogP	6.5519
CLogS	-5.451
H Acceptors	5
H Donors	1
TotalSurfaceArea	267.42
Relative PSA	0.35398
PolarSurfaceArea	112.22
Druglikeness	3.4247
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

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