O=C(c1cc(Cl)cc(Cl)c1)N1CCC(NCc2ccnc3ccccc23)CC1Cc1ccccc1
SMILES: O=C(c1cc(Cl)cc(Cl)c1)N1CCC(NCc2ccnc3ccccc23)CC1Cc1ccccc1

Molecular Processing

Molecular formula
C29H27Cl2N3O
Molecular weight
504.46
Exact mass
503.1531
XLogP
6.55
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
143.04

Supplementary Information

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