Name: (1S,2R)-5′-(4-chlorophenyl)-2-(methoxymethyl)-6′,7′-dimethylspiro-[cyclopropane-1,3′-thieno[2,3-e][1,4]diazepin]-2′(1′H)-one
SMILES:
COC[C@@H]1C[C@]12N=C(c1ccc(Cl)cc1)c1c(sc(C)c1C)NC2=OMolecular Processing
Molecular formula
C19H19ClN2O2S
Molecular weight
374.89
Exact mass
374.0856
XLogP
4.21
TPSA
50.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
102.23
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→