CCOC(=O)C(CCSC)NC(=O)C(CC1(NCCCl)C=CC=C(NCCCl)C1)NC(=O)C(Cc1ccc(F)cc1)NC=O
SMILES: CCOC(=O)C(CCSC)NC(=O)C(CC1(NCCCl)C=CC=C(NCCCl)C1)NC(=O)C(Cc1ccc(F)cc1)NC=O

Molecular Processing

Molecular formula
C30H42Cl2FN5O5S
Molecular weight
674.67
Exact mass
673.2268
XLogP
2.4
TPSA
137.66
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
21
Heavy atoms
44
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
173.22

Supplementary Information

Obteniendo detalles…

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