Name: racemic (1S,2R)-5′-(4-chlorophenyl)-2,6′,7′-trimethylspiro[cyclopropane-1,3′-thieno[2,3-e][1,4]diazepin]-2′(1′H)-one
SMILES:
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC1(CC1C)C(=O)N2Molecular Processing
Molecular formula
C18H17ClN2OS
Molecular weight
344.87
Exact mass
344.075
XLogP
4.59
TPSA
41.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.03
Supplementary Information
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