C=Cc1cncc2cccc(NC3CCC(N(Cc4ccccc4)C(=O)OC(C)(C)C)CC3)c12
SMILES: C=Cc1cncc2cccc(NC3CCC(N(Cc4ccccc4)C(=O)OC(C)(C)C)CC3)c12

Molecular Processing

Molecular formula
C29H35N3O2
Molecular weight
457.62
Exact mass
457.2729
XLogP
7.04
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
139.72

Supplementary Information

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