3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C21H22N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C21H22N4O2S
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c(cc1)ccc1N1CCOCC1
InChI	InChI=1S/C21H22N4O2S/c26-21-19-17-3-1-2-4-18(17)28-20(19)22-14-25(21)23-13-15-5-7-16(8-6-15)24-9-11-27-12-10-24/h5-8,13-14H,1-4,9-12H2
InChIK	YXBAVKSTCTYJNC-UHFFFAOYSA-N
TotalMolweight	394.498
Molweight	394.498
MonoisotopicMass	394.146346
CLogP	3.354
CLogS	-5.154
H Acceptors	6
TotalSurfaceArea	296.41
Relative PSA	0.24803
PolarSurfaceArea	85.74
Druglikeness	1.5568
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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1 - 3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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