CCOC(=O)N1CCC(NC/C=C/c2cnc(N)c3c(-c4ccc(NC(=O)c5cc6ccccc6n5C)c(OC)c4)csc23)CC1
SMILES: CCOC(=O)N1CCC(NC/C=C/c2cnc(N)c3c(-c4ccc(NC(=O)c5cc6ccccc6n5C)c(OC)c4)csc23)CC1

Molecular Processing

Molecular formula
C35H38N6O4S
Molecular weight
638.79
Exact mass
638.2675
XLogP
6.52
TPSA
123.74
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
46
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
185.55

Supplementary Information

No supplementary data available

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