ethyl 4-[5-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate

Formula:C25H20N2O6S Mutagenic:high Tumorigenic:high Reproductive Effective:high ethyl 4-[5-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	ethyl 4-[5-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
MolecularFormula	C25H20N2O6S
Smiles	CCOC(c(cc1)ccc1-c1ccc(/C=C(\C(NC(N2c(cc3)ccc3OC)=S)=O)/C2=O)o1)=O
InChI	InChI=1S/C25H20N2O6S/c1-3-32-24(30)16-6-4-15(5-7-16)21-13-12-19(33-21)14-20-22(28)26-25(34)27(23(20)29)17-8-10-18(31-2)11-9-17/h4-14H,3H2,1-2H3,(H,26,28,34)
InChIK	KUXNQOYZRJQQIY-UHFFFAOYSA-N
TotalMolweight	476.508
Molweight	476.508
MonoisotopicMass	476.104208
CLogP	3.7041
CLogS	-5.89
H Acceptors	8
H Donors	1
TotalSurfaceArea	359.68
Relative PSA	0.32318
PolarSurfaceArea	130.17
Druglikeness	0.78679
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon

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1 - ethyl 4-[5-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate | 2 - ethyl 4-[5-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate

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