Name: 7-chloro-5-methylamino-1-[5-(2-methylbenzoylamino)thenoyl]-2,3,4,5-tetrahydro-1H-benzazepine
SMILES:
CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)s2)c2ccc(Cl)cc21Molecular Processing
Molecular formula
C24H24ClN3O2S
Molecular weight
454
Exact mass
453.1278
XLogP
5.66
TPSA
61.44
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
127.61
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→