2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Formula:C25H24N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is a drug-like molecule.

MolName	2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
MolecularFormula	C25H24N4O6
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)c1)NC[C@H]1OCCC1
InChI	InChI=1S/C25H24N4O6/c30-22(26-12-17-5-3-9-34-17)15-28-13-16(19-7-1-2-8-21(19)28)11-20-23(31)27-25(33)29(24(20)32)14-18-6-4-10-35-18/h1-2,4,6-8,10-11,13,17H,3,5,9,12,14-15H2,(H,26,30)(H,27,31,33)/t17-/m0/s1
InChIK	DGZWSUZGKURVNN-KRWDZBQOSA-N
TotalMolweight	476.488
Molweight	476.488
MonoisotopicMass	476.169586
CLogP	0.6724
CLogS	-3.392
H Acceptors	10
H Donors	2
TotalSurfaceArea	353.5
Relative PSA	0.31007
PolarSurfaceArea	122.88
Druglikeness	4.5475
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	8
Amides	3
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - 2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide | 2 - 2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Request More Details | 2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

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