Name: 6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-5-(piperazin-1-yl)carbonyloxy-2,3,6,7-tetrahydro-5H-1,4-dithiino[2,3-c]pyrrole
SMILES:
O=C(OC1C2=C(SCCS2)C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCNCC1Molecular Processing
Molecular formula
C19H18ClN5O3S2
Molecular weight
463.97
Exact mass
463.054
XLogP
2.69
TPSA
87.66
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
118.69
Supplementary Information
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