(E)-N-[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

Formula:C28H25N4O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
MolecularFormula	C28H25N4O2ClS2
Smiles	O=C(CSc1nc(ccc(NC(/C=C/c2ccccc2)=O)c2)c2s1)N(CC1)CCN1c(cc1)ccc1Cl
InChI	InChI=1S/C28H25ClN4O2S2/c29-21-7-10-23(11-8-21)32-14-16-33(17-15-32)27(35)19-36-28-31-24-12-9-22(18-25(24)37-28)30-26(34)13-6-20-4-2-1-3-5-20/h1-13,18H,14-17,19H2,(H,30,34)
InChIK	FOZIFVNUZBDKTD-UHFFFAOYSA-N
TotalMolweight	549.118
Molweight	549.118
MonoisotopicMass	548.110743
CLogP	5.7359
CLogS	-6.669
H Acceptors	6
H Donors	1
TotalSurfaceArea	404.35
Relative PSA	0.23114
PolarSurfaceArea	119.08
Druglikeness	6.0722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67568
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-N-[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

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