3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C17H13N4O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C17H13N4O3ClS
Smiles	[O-][N+](c(cc1)cc(/C=N\N(C=Nc2c3c(CCCC4)c4s2)C3=O)c1Cl)=O
InChI	InChI=1S/C17H13ClN4O3S/c18-13-6-5-11(22(24)25)7-10(13)8-20-21-9-19-16-15(17(21)23)12-3-1-2-4-14(12)26-16/h5-9H,1-4H2
InChIK	FMBMUTRNJDTKCV-UHFFFAOYSA-N
TotalMolweight	388.834
Molweight	388.834
MonoisotopicMass	388.039688
CLogP	3.3694
CLogS	-6.247
H Acceptors	7
TotalSurfaceArea	273.66
Relative PSA	0.3303
PolarSurfaceArea	119.09
Druglikeness	-3.731
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Request More Details | 3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments