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

Formula:C25H24N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-(oxolan-2-ylmethyl)-2-[3-[(E)-[2,4,6-trioxo-1-(thiophen-2-ylmethyl)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	N-(oxolan-2-ylmethyl)-2-[3-[(E)-[2,4,6-trioxo-1-(thiophen-2-ylmethyl)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C25H24N4O5S
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2Cc3cccs3)=O)=O)/C2=O)c1)NCC1OCCC1
InChI	InChI=1S/C25H24N4O5S/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-/m1/s1
InChIK	UWHVLFZQCZKZOT-QGZVFWFLSA-N
TotalMolweight	492.555
Molweight	492.555
MonoisotopicMass	492.146741
CLogP	1.3503
CLogS	-3.72
H Acceptors	9
H Donors	2
TotalSurfaceArea	359.75
Relative PSA	0.32206
PolarSurfaceArea	137.98
Druglikeness	6.1521
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	racemate

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments