Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C18H17N3O5 | Cheminformatics

N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C18H17N3O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName : N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C18H17N3O5

Smiles : Oc1cccc(/C=N\NC(CNC(c(cc2)cc3c2OCCO3)=O)=O)c1

InChI : InChI=1S/C18H17N3O5/c22-14-3-1-2-12(8-14)10-20-21-17(23)11-19-18(24)13-4-5-15-16(9-13)26-7-6-25-15/h1-5,8-10,22H,6-7,11H2,(H,19,24)(H,21,23)

InChIK : HXFTVDCKJWBHJV-UHFFFAOYSA-N

TotalMolweight : 355.349

Molweight : 355.349

MonoisotopicMass : 355.116822

CLogP : 1.9184

CLogS : -3.374

H Acceptors : 8

H Donors : 3

TotalSurfaceArea : 270.33

Relative PSA : 0.34628

PolarSurfaceArea : 109.25

Druglikeness : -1.8562

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Amides : 1

StereoCon :

Request More Details | N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments