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C24H20N6O6S | Cheminformatics
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4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

Molecular Formula : C24H20N6O6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is not a drug-like molecule.

MolName : 4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

MolecularFormula : C24H20N6O6S

Smiles : NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)(=O)=O

InChI : InChI=1S/C24H20N6O6S/c25-37(33,34)19-7-8-20(21(13-19)30(31)32)27-26-14-17-15-29(18-4-2-1-3-5-18)28-24(17)16-6-9-22-23(12-16)36-11-10-35-22/h1-9,12-15,27H,10-11H2,(H2,25,33,34)

InChIK : VYLSMJQSGFYDFG-UHFFFAOYSA-N

TotalMolweight : 520.525

Molweight : 520.525

MonoisotopicMass : 520.116504

CLogP : 3.5811

CLogS : -5.203

H Acceptors : 12

H Donors : 2

TotalSurfaceArea : 371.51

Relative PSA : 0.3636

PolarSurfaceArea : 175.03

Druglikeness : -9.2246

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.45946

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 23

Sp3Atoms : 6

Symmetricatoms : 3

Amides : 1

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - 4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
2 - 4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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