(E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C26H16N5O2Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C26H16N5O2Cl3S
Smiles	O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)=S
InChI	InChI=1S/C26H16Cl3N5O2S/c27-18-8-4-7-17(25(18)29)23-11-9-16(36-23)10-12-24(35)31-26(37)30-20-14-22-21(13-19(20)28)32-34(33-22)15-5-2-1-3-6-15/h1-14H,(H2,30,31,35,37)
InChIK	KQBSBONEURVCIC-UHFFFAOYSA-N
TotalMolweight	568.871
Molweight	568.871
MonoisotopicMass	567.009026
CLogP	6.7519
CLogS	-8.632
H Acceptors	7
H Donors	2
TotalSurfaceArea	409.69
Relative PSA	0.26088
PolarSurfaceArea	117.07
Druglikeness	3.3
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	thio-amide/urea
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - (E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Request More Details | (E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments