3-[[(Z)-[(3Z)-3-benzylidene-2-oxocyclohexylidene]methyl]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C24H23N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(Z)-[(3Z)-3-benzylidene-2-oxocyclohexylidene]methyl]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[[(Z)-[(3Z)-3-benzylidene-2-oxocyclohexylidene]methyl]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C24H23N3O2S
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2N/C=C(/CCC/C1=C/c2ccccc2)\C1=O
InChI	InChI=1S/C24H23N3O2S/c28-22-17(13-16-7-2-1-3-8-16)9-6-10-18(22)14-26-27-15-25-23-21(24(27)29)19-11-4-5-12-20(19)30-23/h1-3,7-8,13-15,26H,4-6,9-12H2
InChIK	JYFNJLVRDDYXOZ-UHFFFAOYSA-N
TotalMolweight	417.532
Molweight	417.532
MonoisotopicMass	417.151097
CLogP	3.3026
CLogS	-6.048
H Acceptors	5
H Donors	1
TotalSurfaceArea	316.22
Relative PSA	0.23073
PolarSurfaceArea	90.01
Druglikeness	0.45114
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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1 - 3-[[(Z)-[(3Z)-3-benzylidene-2-oxocyclohexylidene]methyl]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[[(Z)-[(3Z)-3-benzylidene-2-oxocyclohexylidene]methyl]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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