[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C30H27N6O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.

MolName	[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C30H27N6O2ClS2
Smiles	O=C(c1csc(CSc2nnc(-c3ccco3)n2-c(cccc2)c2Cl)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C30H27ClN6O2S2/c31-23-11-4-5-12-25(23)37-28(26-13-7-19-39-26)33-34-30(37)41-21-27-32-24(20-40-27)29(38)36-17-15-35(16-18-36)14-6-10-22-8-2-1-3-9-22/h1-13,19-20H,14-18,21H2
InChIK	ILCPMKGZLYTOHG-UHFFFAOYSA-N
TotalMolweight	603.169
Molweight	603.169
MonoisotopicMass	602.132541
CLogP	5.4172
CLogS	-8.39
H Acceptors	8
TotalSurfaceArea	450.23
Relative PSA	0.2485
PolarSurfaceArea	133.83
Druglikeness	10.337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56098
Fragments	1
Non HAtoms	41
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - [2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Request More Details | [2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments