(E)-3-phenyl-1-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Formula:C23H24N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-phenyl-1-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C23H24N4OS
Smiles	O=C(/C=C/c1ccccc1)N(CC1)CCN1c1c(c(CCCC2)c2s2)c2ncn1
InChI	InChI=1S/C23H24N4OS/c28-20(11-10-17-6-2-1-3-7-17)26-12-14-27(15-13-26)22-21-18-8-4-5-9-19(18)29-23(21)25-16-24-22/h1-3,6-7,10-11,16H,4-5,8-9,12-15H2
InChIK	BOOHEKXMOBNDRH-UHFFFAOYSA-N
TotalMolweight	404.537
Molweight	404.537
MonoisotopicMass	404.167081
CLogP	4.3303
CLogS	-5.732
H Acceptors	5
TotalSurfaceArea	309.01
Relative PSA	0.20206
PolarSurfaceArea	77.57
Druglikeness	1.3711
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-3-phenyl-1-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

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