(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C27H18N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C27H18N4O4S
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)OCC(N=C1SC=CN11)=CC1=O
InChI	InChI=1S/C27H18N4O4S/c32-24-15-20(28-27-30(24)12-13-36-27)17-34-25(33)11-10-19-16-31(21-7-2-1-3-8-21)29-26(19)23-14-18-6-4-5-9-22(18)35-23/h1-16H,17H2
InChIK	UTLGTWALQHBYAV-UHFFFAOYSA-N
TotalMolweight	494.53
Molweight	494.53
MonoisotopicMass	494.104876
CLogP	3.2524
CLogS	-6.114
H Acceptors	8
TotalSurfaceArea	365.76
Relative PSA	0.27499
PolarSurfaceArea	115.23
Druglikeness	0.67681
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate | 2 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

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