(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Formula:C26H24N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
MolecularFormula	C26H24N2O5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)N(CC1)CCC1c1nc(-c(cc2)cc3c2OCCO3)cs1
InChI	InChI=1S/C26H24N2O5S/c29-25(6-2-17-1-4-22-23(13-17)33-16-32-22)28-9-7-18(8-10-28)26-27-20(15-34-26)19-3-5-21-24(14-19)31-12-11-30-21/h1-6,13-15,18H,7-12,16H2
InChIK	QFCRRXLCBUHDHK-UHFFFAOYSA-N
TotalMolweight	476.552
Molweight	476.552
MonoisotopicMass	476.140593
CLogP	5.242
CLogS	-5.519
H Acceptors	7
TotalSurfaceArea	350.35
Relative PSA	0.25095
PolarSurfaceArea	98.36
Druglikeness	-2.5285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	12
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Request More Details | (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

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