Name: 6-methyl-3-(1-[4-nitrophenoxy]tridecyl)-7H-1,2,4-triazolo[3,4-b]-[1,3,4]thiadiazine
SMILES:
CCCCCCCCCCCCC(Oc1ccc([N+](=O)[O-])cc1)c1nnc2n1N=C(C)CS2Molecular Processing
Molecular formula
C24H35N5O3S
Molecular weight
473.64
Exact mass
473.2461
XLogP
6.95
TPSA
95.44
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
132.18
Supplementary Information
Fetching details…
Involved in 3 reactions→