[4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C25H17N3O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormula	C25H17N3O4BrClS
Smiles	O=C(CNC(c(sc1c2cccc1)c2Cl)=O)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C25H17BrClN3O4S/c26-17-9-7-16(8-10-17)25(33)34-18-11-5-15(6-12-18)13-29-30-21(31)14-28-24(32)23-22(27)19-3-1-2-4-20(19)35-23/h1-13H,14H2,(H,28,32)(H,30,31)
InChIK	UNFPGNIXMNPPQF-UHFFFAOYSA-N
TotalMolweight	570.85
Molweight	570.85
MonoisotopicMass	568.981165
CLogP	5.9682
CLogS	-7.877
H Acceptors	7
H Donors	2
TotalSurfaceArea	382.06
Relative PSA	0.27197
PolarSurfaceArea	125.1
Druglikeness	4.5894
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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1 - [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

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