$CCCN(CCC)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)c1.O=C(O)CCC(=O)O$

SMILES: CCCN(CCC)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)c1.O=C(O)CCC(=O)O

Molecular Processing

Molecular formula

C34H47ClN10O11S

Molecular weight

839.33

Exact mass

838.2835

XLogP

0.45

TPSA

319

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.5

Molar refractivity

205.51

Supplementary Information

Details werden geladen…