Cc1ccc(C(SCCN(C)CCCCN=C(NC#N)NCCSCc2csc(NC(=N)N)n2)c2ccccc2)cc1
SMILES: Cc1ccc(C(SCCN(C)CCCCN=C(NC#N)NCCSCc2csc(NC(=N)N)n2)c2ccccc2)cc1

Molecular Processing

Molecular formula
C30H41N9S3
Molecular weight
623.92
Exact mass
623.2647
XLogP
5.24
TPSA
138.24
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
181.52

Supplementary Information

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