5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine

Formula:C19H19N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine is a drug-like molecule.

MolName	5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine
MolecularFormula	C19H19N3O2S
Smiles	C(CC1)CCN1c1c(c([C@@H]2Oc(cccc3)c3OC2)cs2)c2ncn1
InChI	InChI=1S/C19H19N3O2S/c1-4-8-22(9-5-1)18-17-13(11-25-19(17)21-12-20-18)16-10-23-14-6-2-3-7-15(14)24-16/h2-3,6-7,11-12,16H,1,4-5,8-10H2/t16-/m1/s1
InChIK	BRNCIBWJCNZHPD-MRXNPFEDSA-N
TotalMolweight	353.445
Molweight	353.445
MonoisotopicMass	353.119797
CLogP	3.8112
CLogS	-5.371
H Acceptors	5
TotalSurfaceArea	259.44
Relative PSA	0.25382
PolarSurfaceArea	75.72
Druglikeness	1.0677
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon	this enantiomer

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