3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Formula:C24H21N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one is a drug-like molecule.

MolName	3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one
MolecularFormula	C24H21N5O2S
Smiles	O=C(c(cc1)ccc1N(C(c(cccc1)c1N1)=O)C1=S)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C24H21N5O2S/c30-22(28-15-13-27(14-16-28)21-7-3-4-12-25-21)17-8-10-18(11-9-17)29-23(31)19-5-1-2-6-20(19)26-24(29)32/h1-12H,13-16H2,(H,26,32)
InChIK	CDDJUJYXISFTGH-UHFFFAOYSA-N
TotalMolweight	443.53
Molweight	443.53
MonoisotopicMass	443.141595
CLogP	3.25
CLogS	-4.857
H Acceptors	7
H Donors	1
TotalSurfaceArea	330.15
Relative PSA	0.264
PolarSurfaceArea	100.87
Druglikeness	6.4908
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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