COc1cccnc1NC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)ccc1-c1cnn(C)c1
SMILES: COc1cccnc1NC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)ccc1-c1cnn(C)c1

Molecular Processing

Molecular formula
C25H31N5O2
Molecular weight
433.56
Exact mass
433.2478
XLogP
4.15
TPSA
72.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
125.88

Supplementary Information

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