1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea

Formula:C27H28N5O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea is not a drug-like molecule.

MolName	1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea
MolecularFormula	C27H28N5O4ClS
Smiles	Cc(ccc(Cl)c1)c1-n1c(SCc2cc(OC)ccc2)nnc1CNC(Nc1cc(OC)cc(OC)c1)=O
InChI	InChI=1S/C27H28ClN5O4S/c1-17-8-9-19(28)11-24(17)33-25(31-32-27(33)38-16-18-6-5-7-21(10-18)35-2)15-29-26(34)30-20-12-22(36-3)14-23(13-20)37-4/h5-14H,15-16H2,1-4H3,(H2,29,30,34)
InChIK	VZLKCAXFISJXIH-UHFFFAOYSA-N
TotalMolweight	554.069
Molweight	554.069
MonoisotopicMass	553.155052
CLogP	4.5756
CLogS	-8.315
H Acceptors	9
H Donors	2
TotalSurfaceArea	419.4
Relative PSA	0.26767
PolarSurfaceArea	124.83
Druglikeness	3.5386
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	10
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
StereoCon

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1 - 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea | 2 - 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea

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