3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C25H14N4O3Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one is not a drug-like molecule.

MolName	3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C25H14N4O3Cl2S2
Smiles	[O-][N+](c(cccc1)c1Sc(sc(N=CN1/N=C\c(ccc(Cl)c2)c2Cl)c2C1=O)c2-c1ccccc1)=O
InChI	InChI=1S/C25H14Cl2N4O3S2/c26-17-11-10-16(18(27)12-17)13-29-30-14-28-23-22(24(30)32)21(15-6-2-1-3-7-15)25(36-23)35-20-9-5-4-8-19(20)31(33)34/h1-14H
InChIK	MERNKABJMFHJGC-UHFFFAOYSA-N
TotalMolweight	553.449
Molweight	553.449
MonoisotopicMass	551.988435
CLogP	6.4214
CLogS	-9.67
H Acceptors	7
TotalSurfaceArea	384.55
Relative PSA	0.28054
PolarSurfaceArea	144.39
Druglikeness	0.64967
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one

Request More Details | 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments