[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C26H25N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is not a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C26H25N3O7S
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C26H25N3O7S/c30-24(27-20-10-13-37(32,33)17-20)16-36-25(31)9-7-19-15-29(21-4-2-1-3-5-21)28-26(19)18-6-8-22-23(14-18)35-12-11-34-22/h1-9,14-15,20H,10-13,16-17H2,(H,27,30)/t20-/m1/s1
InChIK	AYUGYWUCQMDRJP-HXUWFJFHSA-N
TotalMolweight	523.565
Molweight	523.565
MonoisotopicMass	523.141322
CLogP	1.247
CLogS	-4.133
H Acceptors	10
H Donors	1
TotalSurfaceArea	380.84
Relative PSA	0.29923
PolarSurfaceArea	134.2
Druglikeness	-5.6879
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

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