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C20H17N2O6Cl | Cheminformatics
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[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Molecular Formula : C20H17N2O6Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName : [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

MolecularFormula : C20H17N2O6Cl

Smiles : O=C(COC(/C=C/c(cc1)ccc1Cl)=O)NC(Nc(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C20H17ClN2O6/c21-14-4-1-13(2-5-14)3-8-19(25)29-12-18(24)23-20(26)22-15-6-7-16-17(11-15)28-10-9-27-16/h1-8,11H,9-10,12H2,(H2,22,23,24,26)

InChIK : XSAMWAQOBQVGKO-UHFFFAOYSA-N

TotalMolweight : 416.816

Molweight : 416.816

MonoisotopicMass : 416.077515

CLogP : 3.0647

CLogS : -4.78

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 308.89

Relative PSA : 0.29797

PolarSurfaceArea : 102.96

Druglikeness : -5.9658

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.68966

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 2

StereoCon :

Click to Load Molecule:
1 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
2 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
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