2-[3-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide

Formula:C26H20N4O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide is a drug-like molecule.

MolName	2-[3-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide
MolecularFormula	C26H20N4O4S
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)c1)NCc1ccco1
InChI	InChI=1S/C26H20N4O4S/c31-23(27-14-19-9-6-12-34-19)16-29-15-17(20-10-4-5-11-22(20)29)13-21-24(32)28-26(35)30(25(21)33)18-7-2-1-3-8-18/h1-13,15H,14,16H2,(H,27,31)(H,28,32,35)
InChIK	XUFYCNINEYQZPM-UHFFFAOYSA-N
TotalMolweight	484.535
Molweight	484.535
MonoisotopicMass	484.120526
CLogP	2.2283
CLogS	-4.636
H Acceptors	8
H Donors	2
TotalSurfaceArea	364.18
Relative PSA	0.3146
PolarSurfaceArea	128.67
Druglikeness	4.7982
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - 2-[3-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide | 2 - 2-[3-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide

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