(10E)-4-(1,3-benzodioxol-5-yl)-10-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7,8,9-octahydrocycloocta[d]pyrimidine-2-thione

Formula:C25H24N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (10E)-4-(1,3-benzodioxol-5-yl)-10-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7,8,9-octahydrocycloocta[d]pyrimidine-2-thione is not a drug-like molecule.

MolName	(10E)-4-(1,3-benzodioxol-5-yl)-10-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7,8,9-octahydrocycloocta[d]pyrimidine-2-thione
MolecularFormula	C25H24N2O4S
Smiles	S=C1NC(/C(/CCCCC2)=C/c(cc3)cc4c3OCO4)=C2C(c(cc2)cc3c2OCO3)N1
InChI	InChI=1S/C25H24N2O4S/c32-25-26-23-16(10-15-6-8-19-21(11-15)30-13-28-19)4-2-1-3-5-18(23)24(27-25)17-7-9-20-22(12-17)31-14-29-20/h6-12,24H,1-5,13-14H2,(H2,26,27,32)/t24-/m0/s1
InChIK	IHWNFLNMUWSRNS-DEOSSOPVSA-N
TotalMolweight	448.542
Molweight	448.542
MonoisotopicMass	448.145678
CLogP	6.408
CLogS	-6.81
H Acceptors	6
H Donors	2
TotalSurfaceArea	331.1
Relative PSA	0.2746
PolarSurfaceArea	93.07
Druglikeness	-4.2957
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	2
Rings Closures	6
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
StereoCon	racemate

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1 - (10E)-4-(1,3-benzodioxol-5-yl)-10-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7,8,9-octahydrocycloocta[d]pyrimidine-2-thione | 2 - (10E)-4-(1,3-benzodioxol-5-yl)-10-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7,8,9-octahydrocycloocta[d]pyrimidine-2-thione

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