CC(C)(C)OC(=O)NCc1cccc2ccn(CC(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c12
SMILES: CC(C)(C)OC(=O)NCc1cccc2ccn(CC(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c12

Molecular Processing

Molecular formula
C30H39N5O3
Molecular weight
517.67
Exact mass
517.3053
XLogP
4.97
TPSA
79.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
148.94

Supplementary Information

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