Name: (S)-10-[3-(2-furan-3-yl-ethyl)-piperazin-1-yl]-2-methyl-4H-3-thia-4,9-diaza-benzo[f]azulene
SMILES:
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN[C@@H](CCc2ccoc2)C1Molecular Processing
Molecular formula
C22H24N4OS
Molecular weight
392.53
Exact mass
392.1671
XLogP
4.69
TPSA
52.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
115.37
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→