(3S,7aR)-3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

Formula:C16H14N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S,7aR)-3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is a drug-like molecule.

MolName	(3S,7aR)-3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
MolecularFormula	C16H14N2O3S2
Smiles	COc(cc1)ccc1N(C([C@H]1N2[C@H](c3ccco3)SC1)=O)C2=S
InChI	InChI=1S/C16H14N2O3S2/c1-20-11-6-4-10(5-7-11)17-14(19)12-9-23-15(18(12)16(17)22)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3/t12-,15+/m1/s1
InChIK	UPZKKMALLADIOH-DOMZBBRYSA-N
TotalMolweight	346.43
Molweight	346.43
MonoisotopicMass	346.044583
CLogP	2.0627
CLogS	-3.553
H Acceptors	5
TotalSurfaceArea	245.28
Relative PSA	0.36587
PolarSurfaceArea	103.31
Druglikeness	4.1854
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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1 - (3S,7aR)-3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one | 2 - (3S,7aR)-3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

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