4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one

Formula:C22H22N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one
MolecularFormula	C22H22N2O7S
Smiles	Oc(cc1)cc(O2)c1C(CN(CC1)CCN1S(c(cc1)cc3c1OCCO3)(=O)=O)=CC2=O
InChI	InChI=1S/C22H22N2O7S/c25-16-1-3-18-15(11-22(26)31-20(18)12-16)14-23-5-7-24(8-6-23)32(27,28)17-2-4-19-21(13-17)30-10-9-29-19/h1-4,11-13,25H,5-10,14H2
InChIK	MUSJNXAZJVHFCW-UHFFFAOYSA-N
TotalMolweight	458.49
Molweight	458.49
MonoisotopicMass	458.114773
CLogP	1.4496
CLogS	-1.625
H Acceptors	9
H Donors	1
TotalSurfaceArea	316.83
Relative PSA	0.28981
PolarSurfaceArea	113.99
Druglikeness	-7.2701
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	3
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one | 2 - 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one

Request More Details | 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments