الاسم: 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-cyanobutyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine
SMILES:
COc1cc(C(=O)N2CCC(CCN3CCCN(c4nc5ccccc5n4CCCCC#N)CC3)(c3ccccc3)C2)cc(OC)c1OCMolecular Processing
Molecular formula
C39H48N6O4
Molecular weight
664.85
Exact mass
664.3737
XLogP
6.14
TPSA
96.09
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
49
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
191.82
Supplementary Information
جارٍ جلب التفاصيل…
مشارك في 5 تفاعل→