(Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Formula:C15H15N3O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is a drug-like molecule.

MolName	(Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
MolecularFormula	C15H15N3O4BrS
Smiles	CCOc(c(OC)cc(/C=C(/C([O-])=O)\Sc1n[nH]c(C)n1)c1)c1Br
InChI	InChI=1S/C15H16BrN3O4S/c1-4-23-13-10(16)5-9(6-11(13)22-3)7-12(14(20)21)24-15-17-8(2)18-19-15/h5-7H,4H2,1-3H3,(H,20,21)(H,17,18,19)/p-1
InChIK	WMNJORJOHRILRM-UHFFFAOYSA-M
TotalMolweight	413.271
Molweight	413.271
MonoisotopicMass	411.996663
CLogP	0.5237
CLogS	-3.518
H Acceptors	7
H Donors	1
TotalSurfaceArea	276.76
Relative PSA	0.364
PolarSurfaceArea	125.46
Druglikeness	0.040572
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - (Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate | 2 - (Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

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