N-(2,5-dichlorophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C18H16N4OCl2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-(2,5-dichlorophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	N-(2,5-dichlorophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C18H16N4OCl2S2
Smiles	C=CCn1c(SCC(Nc(cc(cc2)Cl)c2Cl)=O)nnc1Cc1cccs1
InChI	InChI=1S/C18H16Cl2N4OS2/c1-2-7-24-16(10-13-4-3-8-26-13)22-23-18(24)27-11-17(25)21-15-9-12(19)5-6-14(15)20/h2-6,8-9H,1,7,10-11H2,(H,21,25)
InChIK	ZHNXOZGJWAKTPQ-UHFFFAOYSA-N
TotalMolweight	439.39
Molweight	439.39
MonoisotopicMass	438.014255
CLogP	4.4736
CLogS	-4.743
H Acceptors	5
H Donors	1
TotalSurfaceArea	318.8
Relative PSA	0.28595
PolarSurfaceArea	113.35
Druglikeness	3.3448
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - N-(2,5-dichlorophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-(2,5-dichlorophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

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