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

Formula:C21H22N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C21H22N4OS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c(cc1)ccc1N1CCCC1
InChI	InChI=1S/C21H22N4OS/c26-21-19-17-5-1-2-6-18(17)27-20(19)22-14-25(21)23-13-15-7-9-16(10-8-15)24-11-3-4-12-24/h7-10,13-14H,1-6,11-12H2
InChIK	VWGYFOCIHVETGZ-UHFFFAOYSA-N
TotalMolweight	378.499
Molweight	378.499
MonoisotopicMass	378.151431
CLogP	4.176
CLogS	-5.773
H Acceptors	5
TotalSurfaceArea	286.41
Relative PSA	0.22178
PolarSurfaceArea	76.51
Druglikeness	3.3737
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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

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