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

Formula:C26H30N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is a drug-like molecule.

MolName	2-[3-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
MolecularFormula	C26H30N4O5
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2C3CCCCC3)=O)=O)/C2=O)c1)NCC1OCCC1
InChI	InChI=1S/C26H30N4O5/c31-23(27-14-19-9-6-12-35-19)16-29-15-17(20-10-4-5-11-22(20)29)13-21-24(32)28-26(34)30(25(21)33)18-7-2-1-3-8-18/h4-5,10-11,13,15,18-19H,1-3,6-9,12,14,16H2,(H,27,31)(H,28,32,34)/t19-/m1/s1
InChIK	WVADNXANAVHIPR-LJQANCHMSA-N
TotalMolweight	478.547
Molweight	478.547
MonoisotopicMass	478.221621
CLogP	1.6213
CLogS	-3.961
H Acceptors	9
H Donors	2
TotalSurfaceArea	358.09
Relative PSA	0.26669
PolarSurfaceArea	109.74
Druglikeness	0.40378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	13
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	1
StereoCon	racemate

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments