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

Formula:C26H21N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C26H21N5OS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C26H21N5OS/c32-26-23-21-13-7-8-14-22(21)33-25(23)27-17-31(26)28-15-19-16-30(20-11-5-2-6-12-20)29-24(19)18-9-3-1-4-10-18/h1-6,9-12,15-17H,7-8,13-14H2
InChIK	MPRKYNAPSBJODW-UHFFFAOYSA-N
TotalMolweight	451.553
Molweight	451.553
MonoisotopicMass	451.14668
CLogP	4.604
CLogS	-6.564
H Acceptors	6
TotalSurfaceArea	342.05
Relative PSA	0.22748
PolarSurfaceArea	91.09
Druglikeness	1.3455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

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

Request More Details | 3-[(Z)-(1,3-diphenylpyrazol-4-yl)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