Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)CC(CO)O3)ccc1OC(C)C
SMILES: Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)CC(CO)O3)ccc1OC(C)C

Molecular Processing

Molecular formula
C27H36N2O4
Molecular weight
452.6
Exact mass
452.2675
XLogP
3.65
TPSA
62.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
128.49

Supplementary Information

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