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C17H15N3O2S2 | Cheminformatics
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5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

Molecular 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 :

Click to Load Molecule:
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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