(5S)-2,9-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

Formula:C16H15N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5S)-2,9-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is a drug-like molecule.

MolName	(5S)-2,9-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
MolecularFormula	C16H15N3S
Smiles	Cc1nn([C@@H](c2cccs2)Nc2c-3cc(C)cc2)c3c1
InChI	InChI=1S/C16H15N3S/c1-10-5-6-13-12(8-10)14-9-11(2)18-19(14)16(17-13)15-4-3-7-20-15/h3-9,16-17H,1-2H3/t16-/m0/s1
InChIK	DJBCHQJUBVPAGR-INIZCTEOSA-N
TotalMolweight	281.382
Molweight	281.382
MonoisotopicMass	281.098667
CLogP	3.6143
CLogS	-5.632
H Acceptors	3
H Donors	1
TotalSurfaceArea	211.66
Relative PSA	0.23462
PolarSurfaceArea	58.09
Druglikeness	4.8921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Aromatic Nitrogens	2
StereoCon	this enantiomer

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