(5Z)-2-benzyl-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C33H23N5OS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-2-benzyl-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-2-benzyl-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C33H23N5OS
Smiles	O=C1n2nc(Cc3ccccc3)nc2S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C33H23N5OS/c39-32-30(40-33-34-31(36-38(32)33)21-23-10-4-1-5-11-23)20-24-16-18-27(19-17-24)37-29(26-14-8-3-9-15-26)22-28(35-37)25-12-6-2-7-13-25/h1-20,22H,21H2
InChIK	MWIFCSBUYDQAQY-UHFFFAOYSA-N
TotalMolweight	537.646
Molweight	537.646
MonoisotopicMass	537.16233
CLogP	6.087
CLogS	-7.691
H Acceptors	6
TotalSurfaceArea	406.95
Relative PSA	0.18965
PolarSurfaceArea	90.9
Druglikeness	4.854
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	5
StereoCon

Click to Load Molecule:

1 - (5Z)-2-benzyl-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-benzyl-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Request More Details | (5Z)-2-benzyl-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments