SMILES:
CSc1cccc2c1CCn1cc(-c3ccccc3)nc1C2OC1CCN(C)CC1Molecular Processing
Molecular formula
C25H29N3OS
Molecular weight
419.59
Exact mass
419.2031
XLogP
5.03
TPSA
30.29
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
123.04
Supplementary Information
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