(3R,5R)-3-hexyl-5-methyl-5-[2-(1,3,4-thiadiazol-2-ylamino)acetyl]oxolan-2-one

Formula:C15H23N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (3R,5R)-3-hexyl-5-methyl-5-[2-(1,3,4-thiadiazol-2-ylamino)acetyl]oxolan-2-one is a drug-like molecule.

MolName	(3R,5R)-3-hexyl-5-methyl-5-[2-(1,3,4-thiadiazol-2-ylamino)acetyl]oxolan-2-one
MolecularFormula	C15H23N3O3S
Smiles	CCCCCC[C@H](C[C@](C)(C(CNc1nncs1)=O)O1)C1=O
InChI	InChI=1S/C15H23N3O3S/c1-3-4-5-6-7-11-8-15(2,21-13(11)20)12(19)9-16-14-18-17-10-22-14/h10-11H,3-9H2,1-2H3,(H,16,18)/t11-,15+/m0/s1
InChIK	SKBKJNVKTVVHAV-XHDPSFHLSA-N
TotalMolweight	325.432
Molweight	325.432
MonoisotopicMass	325.146012
CLogP	2.0711
CLogS	-3.054
H Acceptors	6
H Donors	1
TotalSurfaceArea	253.93
Relative PSA	0.3538
PolarSurfaceArea	109.42
Druglikeness	-14.124
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	12
Aromatic Nitrogens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - (3R,5R)-3-hexyl-5-methyl-5-[2-(1,3,4-thiadiazol-2-ylamino)acetyl]oxolan-2-one | 2 - (3R,5R)-3-hexyl-5-methyl-5-[2-(1,3,4-thiadiazol-2-ylamino)acetyl]oxolan-2-one

Request More Details | (3R,5R)-3-hexyl-5-methyl-5-[2-(1,3,4-thiadiazol-2-ylamino)acetyl]oxolan-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments