3-[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enyl]-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C19H20N2OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enyl]-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enyl]-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C19H20N2OS2
Smiles	O=C(c1c(N2)sc3c1CCCC3)N(C/C=C/C1C=CC=CC1)C2=S
InChI	InChI=1S/C19H20N2OS2/c22-18-16-14-10-4-5-11-15(14)24-17(16)20-19(23)21(18)12-6-9-13-7-2-1-3-8-13/h1-3,6-7,9,13H,4-5,8,10-12H2,(H,20,23)/t13-/m0/s1
InChIK	JUNYDUDAZUIWAZ-ZDUSSCGKSA-N
TotalMolweight	356.513
Molweight	356.513
MonoisotopicMass	356.101703
CLogP	4.1946
CLogS	-4.959
H Acceptors	3
H Donors	1
TotalSurfaceArea	275.48
Relative PSA	0.27737
PolarSurfaceArea	92.67
Druglikeness	-1.0327
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Amides	1
StereoCon	racemate

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1 - 3-[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enyl]-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enyl]-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Request More Details | 3-[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enyl]-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

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