ethyl 2-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C26H31N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is not a drug-like molecule.

MolName	ethyl 2-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C26H31N4O4ClS
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2cccc(Cn3nc(C)c(Cl)c3C)c2)=O)s1)=O
InChI	InChI=1S/C26H31ClN4O4S/c1-7-30(8-2)25(33)22-15(4)20(26(34)35-9-3)24(36-22)28-23(32)19-12-10-11-18(13-19)14-31-17(6)21(27)16(5)29-31/h10-13H,7-9,14H2,1-6H3,(H,28,32)
InChIK	KOOAOPADGNWSAH-UHFFFAOYSA-N
TotalMolweight	531.075
Molweight	531.075
MonoisotopicMass	530.175453
CLogP	4.866
CLogS	-5.345
H Acceptors	8
H Donors	1
TotalSurfaceArea	405.71
Relative PSA	0.25222
PolarSurfaceArea	121.77
Druglikeness	4.8286
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	11
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - ethyl 2-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

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