3-[(E)-(4-hydroxy-3,4-diphenylcyclopent-2-en-1-ylidene)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C27H23N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-(4-hydroxy-3,4-diphenylcyclopent-2-en-1-ylidene)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(E)-(4-hydroxy-3,4-diphenylcyclopent-2-en-1-ylidene)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C27H23N3O2S
Smiles	OC(C1)(C(c2ccccc2)=C/C1=N/N(C=Nc1c2c(CCCC3)c3s1)C2=O)c1ccccc1
InChI	InChI=1S/C27H23N3O2S/c31-26-24-21-13-7-8-14-23(21)33-25(24)28-17-30(26)29-20-15-22(18-9-3-1-4-10-18)27(32,16-20)19-11-5-2-6-12-19/h1-6,9-12,15,17,32H,7-8,13-14,16H2/t27-/m1/s1
InChIK	UVYUUYQUOJVPKP-HHHXNRCGSA-N
TotalMolweight	453.565
Molweight	453.565
MonoisotopicMass	453.151097
CLogP	4.8055
CLogS	-6.103
H Acceptors	5
H Donors	1
TotalSurfaceArea	334.27
Relative PSA	0.2186
PolarSurfaceArea	93.5
Druglikeness	1.1945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
StereoCon	racemate

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1 - 3-[(E)-(4-hydroxy-3,4-diphenylcyclopent-2-en-1-ylidene)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(E)-(4-hydroxy-3,4-diphenylcyclopent-2-en-1-ylidene)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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