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

Formula:C25H24N4O5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[3-[(Z)-[1-(furan-2-ylmethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is a drug-like molecule.
MolName2-[3-[(Z)-[1-(furan-2-ylmethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
MolecularFormulaC25H24N4O5S
SmilesO=C(Cn1c(cccc2)c2c(/C=C(/C(NC(N2Cc3ccco3)=S)=O)\C2=O)c1)NCC1OCCC1
InChIInChI=1S/C25H24N4O5S/c30-22(26-12-17-5-3-9-33-17)15-28-13-16(19-7-1-2-8-21(19)28)11-20-23(31)27-25(35)29(24(20)32)14-18-6-4-10-34-18/h1-2,4,6-8,10-11,13,17H,3,5,9,12,14-15H2,(H,26,30)(H,27,31,35)/t17-/m1/s1
InChIKWDBFKIHNOOGUQN-QGZVFWFLSA-N
TotalMolweight492.555
Molweight492.555
MonoisotopicMass492.146741
CLogP1.0329
CLogS-3.476
H Acceptors9
H Donors2
TotalSurfaceArea368.46
Relative PSA0.33808
PolarSurfaceArea137.9
Druglikeness3.6287
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB; thio-amide/urea
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms14
Sp3Atoms9
Amides3
Aromatic Nitrogens1
StereoConracemate

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


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