1-(3,4-dichlorophenyl)-3-[4-[[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]urea

Formula:C23H17N5O3Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(3,4-dichlorophenyl)-3-[4-[[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]urea is not a drug-like molecule.

MolName	1-(3,4-dichlorophenyl)-3-[4-[[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]urea
MolecularFormula	C23H17N5O3Cl2S2
Smiles	O=C(Nc(cc1)ccc1S(Nc1nc(/C=C/c2cccs2)ccn1)(=O)=O)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H17Cl2N5O3S2/c24-20-10-6-17(14-21(20)25)29-23(31)28-15-4-8-19(9-5-15)35(32,33)30-22-26-12-11-16(27-22)3-7-18-2-1-13-34-18/h1-14H,(H,26,27,30)(H2,28,29,31)
InChIK	TUQUVQAMDVZYTE-UHFFFAOYSA-N
TotalMolweight	546.458
Molweight	546.458
MonoisotopicMass	545.014984
CLogP	5.246
CLogS	-7.886
H Acceptors	8
H Donors	3
TotalSurfaceArea	384.05
Relative PSA	0.30803
PolarSurfaceArea	149.7
Druglikeness	4.7625
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	3
Amides	3
Aromatic Nitrogens	2
StereoCon

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