N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide

Formula:C24H20N3O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide is not a drug-like molecule.

MolName	N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
MolecularFormula	C24H20N3O2ClS2
Smiles	C[C@H](CC1)Cc2c1c(C(N)=O)c(NC(c1cc(-c(s3)ccc3Cl)nc3ccccc13)=O)s2
InChI	InChI=1S/C24H20ClN3O2S2/c1-12-6-7-14-19(10-12)32-24(21(14)22(26)29)28-23(30)15-11-17(18-8-9-20(25)31-18)27-16-5-3-2-4-13(15)16/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,26,29)(H,28,30)/t12-/m1/s1
InChIK	RBCBWXQCFNKTOK-GFCCVEGCSA-N
TotalMolweight	482.027
Molweight	482.027
MonoisotopicMass	481.068544
CLogP	6.2771
CLogS	-7.787
H Acceptors	5
H Donors	2
TotalSurfaceArea	341.46
Relative PSA	0.30604
PolarSurfaceArea	141.56
Druglikeness	3.8151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Amides	2
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide | 2 - N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide

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