C1CC(CCC1CCN2C(=O)COC3=C2C=C(C=C3)C#N)N
Name: 4-[2-(4-aminocyclohexyl)ethyl]-3-oxo-1,4-benzoxazine-6-carbonitrile
SMILES: C1CC(CCC1CCN2C(=O)COC3=C2C=C(C=C3)C#N)N

Molecular Processing

Molecular formula
C17H21N3O2
Molecular weight
299.37
Exact mass
299.1634
XLogP
2.19
TPSA
79.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
83.56

Supplementary Information

InChIKey: PFIIQBLRBSNZRI-UHFFFAOYSA-N
Synonyme
SCHEMBL704085SCHEMBL704086PFIIQBLRBSNZRI-MQMHXKEQSA-N4-[2-(trans-4-Amino cyclohexyl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile4-[2-(Trans-4-aminocyclohexyl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
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