(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Formula:C27H21N3O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
MolecularFormula	C27H21N3O4Cl2S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)N(CC1)CCC1c1nc(-c2cc(-c(cc3)cc(Cl)c3Cl)no2)cs1
InChI	InChI=1S/C27H21Cl2N3O4S/c28-19-4-3-18(12-20(19)29)21-13-24(36-31-21)22-14-37-27(30-22)17-7-9-32(10-8-17)26(33)6-2-16-1-5-23-25(11-16)35-15-34-23/h1-6,11-14,17H,7-10,15H2
InChIK	JSYRAPYGPHQZON-UHFFFAOYSA-N
TotalMolweight	554.453
Molweight	554.453
MonoisotopicMass	553.062981
CLogP	6.7267
CLogS	-7.376
H Acceptors	7
TotalSurfaceArea	395.38
Relative PSA	0.23522
PolarSurfaceArea	105.93
Druglikeness	5.4256
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62162
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one | 2 - (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

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