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

Formula:C33H22N5O2BrS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-2-[(4-bromophenoxy)methyl]-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-[(4-bromophenoxy)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C33H22N5O2BrS
Smiles	O=C1n2nc(COc(cc3)ccc3Br)nc2S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C33H22BrN5O2S/c34-25-13-17-27(18-14-25)41-21-31-35-33-39(37-31)32(40)30(42-33)19-22-11-15-26(16-12-22)38-29(24-9-5-2-6-10-24)20-28(36-38)23-7-3-1-4-8-23/h1-20H,21H2
InChIK	KIMRASHOTATRAR-UHFFFAOYSA-N
TotalMolweight	632.541
Molweight	632.541
MonoisotopicMass	631.067756
CLogP	6.3444
CLogS	-8.155
H Acceptors	7
TotalSurfaceArea	435.58
Relative PSA	0.20015
PolarSurfaceArea	100.13
Druglikeness	2.7417
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	5
StereoCon

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

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