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

Formula:C33H23N5O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C33H23N5O2S
Smiles	O=C1n2nc(COc3ccccc3)nc2S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C33H23N5O2S/c39-32-30(41-33-34-31(36-38(32)33)22-40-27-14-8-3-9-15-27)20-23-16-18-26(19-17-23)37-29(25-12-6-2-7-13-25)21-28(35-37)24-10-4-1-5-11-24/h1-21H,22H2
InChIK	OMFDQEFDGIAZKY-UHFFFAOYSA-N
TotalMolweight	553.645
Molweight	553.645
MonoisotopicMass	553.157245
CLogP	5.6192
CLogS	-7.321
H Acceptors	7
TotalSurfaceArea	416.95
Relative PSA	0.20909
PolarSurfaceArea	100.13
Druglikeness	4.5317
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56098
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	5
StereoCon

Click to Load Molecule:

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

Request More Details | (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-(phenoxymethyl)-[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