이름: 7-[4-(2-butoxyethoxy)phenyl]-N-[3-chloro-4-[(3-pyridinylmethyl)sulfanyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide
SMILES:
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4cccnc4)c(Cl)c2)CCN3CC(C)C)cc1Molecular Processing
Molecular formula
C39H44ClN3O3S
Molecular weight
670.32
Exact mass
669.2792
XLogP
9.78
TPSA
63.69
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
47
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
196.62
Supplementary Information
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