4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylmorpholine

Formula:C21H21N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylmorpholine is a drug-like molecule.

MolName	4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylmorpholine
MolecularFormula	C21H21N5O3S
Smiles	Cc1nnc2n1nc(-c1cc(S(N3CCOCC3)(=O)=O)c(C)cc1)c1c2cccc1
InChI	InChI=1S/C21H21N5O3S/c1-14-7-8-16(13-19(14)30(27,28)25-9-11-29-12-10-25)20-17-5-3-4-6-18(17)21-23-22-15(2)26(21)24-20/h3-8,13H,9-12H2,1-2H3
InChIK	KBCOBBQXHZATHS-UHFFFAOYSA-N
TotalMolweight	423.496
Molweight	423.496
MonoisotopicMass	423.13651
CLogP	1.7367
CLogS	-4.135
H Acceptors	8
TotalSurfaceArea	304.09
Relative PSA	0.27291
PolarSurfaceArea	98.07
Druglikeness	2.413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	8
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

1 - 4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylmorpholine | 2 - 4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylmorpholine

Request More Details | 4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylmorpholine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments