CCC1(C2=C(C=CC(=C2)N)N(C(=O)O1)C)CC
Name: 6-amino-4,4-diethyl-1-methyl-3,1-benzoxazin-2-one
SMILES: CCC1(C2=C(C=CC(=C2)N)N(C(=O)O1)C)CC

Molecular Processing

Molecular formula
C13H18N2O2
Molecular weight
234.3
Exact mass
234.1368
XLogP
2.87
TPSA
55.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68

Supplementary Information

InChIKey: FRGSLEYISPATHH-UHFFFAOYSA-N
Synonyme
SCHEMBL4848801FRGSLEYISPATHH-UHFFFAOYSA-N6-amino-4,4-diethyl-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
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