Name: 3-diphenylmethyl-2,3,5,6,7,8-hexahydrothiazolo[3,2-a][1,3]diazepin-3-ol
SMILES:
OC1(C(c2ccccc2)c2ccccc2)CSC2=NCCCCN21Molecular Processing
Molecular formula
C20H22N2OS
Molecular weight
338.48
Exact mass
338.1453
XLogP
3.71
TPSA
35.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.38
Supplementary Information
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