CCC1=C(C=CC2=C1OCCO2)C(=O)NNC(C=C(C)C(C)(C)C)C(C)(C)C
Name: 5-ethyl-N'-(2,2,5,6,6-pentamethylhept-4-en-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILES: CCC1=C(C=CC2=C1OCCO2)C(=O)NNC(C=C(C)C(C)(C)C)C(C)(C)C

Molecular Processing

Molecular formula
C23H36N2O3
Molecular weight
388.55
Exact mass
388.2726
XLogP
4.66
TPSA
59.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
113.87

Supplementary Information

InChIKey: AYUVTGKOHFHHQI-UHFFFAOYSA-N
Synonyme
SCHEMBL1535936AYUVTGKOHFHHQI-UHFFFAOYSA-N5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid N'-(1-tert-butyl-3,4,4-trimethyl-pent-2-enyl)-hydrazide
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