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

C23H17N5O6S3 | Cheminformatics

N-[(E)-1-(3-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide

Molecular Formula : C23H17N5O6S3 | Mutagenic : none | Tumorigenic : low | Reproductive Effective : low |

MolName : N-[(E)-1-(3-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide

MolecularFormula : C23H17N5O6S3

Smiles : [O-][N+](c1cccc(/C=C(\C(Nc(cc2)ccc2S(Nc2nccs2)(=O)=O)=O)/NC(c2cccs2)=O)c1)=O

InChI : InChI=1S/C23H17N5O6S3/c29-21(25-16-6-8-18(9-7-16)37(33,34)27-23-24-10-12-36-23)19(26-22(30)20-5-2-11-35-20)14-15-3-1-4-17(13-15)28(31)32/h1-14H,(H,24,27)(H,25,29)(H,26,30)

InChIK : YOBQIIHIDZYGNI-UHFFFAOYSA-N

TotalMolweight : 555.615

Molweight : 555.615

MonoisotopicMass : 555.034095

CLogP : 3.2932

CLogS : -6.409

H Acceptors : 11

H Donors : 3

TotalSurfaceArea : 390.02

Relative PSA : 0.43882

PolarSurfaceArea : 227.94

Druglikeness : 3.2377

Mutagenic : none

Tumorigenic : low

Reproductive Effective : low

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.48649

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 14

Electronegative Atoms : 14

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 2

Symmetricatoms : 3

Amides : 3

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

Request More Details | N-[(E)-1-(3-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide


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