N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

Formula:C22H19N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is a drug-like molecule.

MolName	N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
MolecularFormula	C22H19N2O3FS
Smiles	COc(ccc(NC(c1cc(scc2)c2n1Cc(cc1)ccc1F)=O)c1)c1OC
InChI	InChI=1S/C22H19FN2O3S/c1-27-19-8-7-16(11-20(19)28-2)24-22(26)18-12-21-17(9-10-29-21)25(18)13-14-3-5-15(23)6-4-14/h3-12H,13H2,1-2H3,(H,24,26)
InChIK	AEKGQMQAJSKLIX-UHFFFAOYSA-N
TotalMolweight	410.468
Molweight	410.468
MonoisotopicMass	410.110041
CLogP	3.9962
CLogS	-4.113
H Acceptors	5
H Donors	1
TotalSurfaceArea	306.36
Relative PSA	0.23414
PolarSurfaceArea	80.73
Druglikeness	3.574
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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