COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1N=[N+]=[N-])C(C)C
SMILES: COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1N=[N+]=[N-])C(C)C

Molecular Processing

Molecular formula
C23H28N4O3S
Molecular weight
440.57
Exact mass
440.1882
XLogP
6.06
TPSA
95.37
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
123.16

Supplementary Information

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