2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C25H18N5O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C25H18N5O4ClS
Smiles	[O-][N+](c1c(/C=C/C=N\NC(CSC(N2c(cc3)ccc3Cl)=Nc(cccc3)c3C2=O)=O)cccc1)=O
InChI	InChI=1S/C25H18ClN5O4S/c26-18-11-13-19(14-12-18)30-24(33)20-8-2-3-9-21(20)28-25(30)36-16-23(32)29-27-15-5-7-17-6-1-4-10-22(17)31(34)35/h1-15H,16H2,(H,29,32)
InChIK	ADUONHNHWAILQR-UHFFFAOYSA-N
TotalMolweight	519.968
Molweight	519.968
MonoisotopicMass	519.076802
CLogP	3.9132
CLogS	-7.613
H Acceptors	9
H Donors	1
TotalSurfaceArea	381.11
Relative PSA	0.29393
PolarSurfaceArea	145.25
Druglikeness	0.71523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

Request More Details | 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments