ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C18H23N4O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is a drug-like molecule.

MolName	ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C18H23N4O4BrS
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(n(C)nc2)c2Br)=O)s1)=O
InChI	InChI=1S/C18H23BrN4O4S/c1-6-23(7-2)17(25)14-10(4)12(18(26)27-8-3)16(28-14)21-15(24)13-11(19)9-20-22(13)5/h9H,6-8H2,1-5H3,(H,21,24)
InChIK	NDFJFNMYJLEFGK-UHFFFAOYSA-N
TotalMolweight	471.375
Molweight	471.375
MonoisotopicMass	470.062337
CLogP	2.8859
CLogS	-3.941
H Acceptors	8
H Donors	1
TotalSurfaceArea	323.14
Relative PSA	0.31667
PolarSurfaceArea	121.77
Druglikeness	0.10897
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	9
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

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