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C20H16N2O3S | Cheminformatics
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(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

Molecular Formula : C20H16N2O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName : (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

MolecularFormula : C20H16N2O3S

Smiles : O=C(/C=C/c1ccccc1)Nc1nc(-c(cc2)cc3c2OCCO3)cs1

InChI : InChI=1S/C20H16N2O3S/c23-19(9-6-14-4-2-1-3-5-14)22-20-21-16(13-26-20)15-7-8-17-18(12-15)25-11-10-24-17/h1-9,12-13H,10-11H2,(H,21,22,23)

InChIK : BWWIKYBGGASXPD-UHFFFAOYSA-N

TotalMolweight : 364.424

Molweight : 364.424

MonoisotopicMass : 364.088163

CLogP : 4.4906

CLogS : -5.191

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 277.21

Relative PSA : 0.27355

PolarSurfaceArea : 88.69

Druglikeness : -5.7186

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! thiazol-2-ylamine

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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1 - (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
2 - (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
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