名称: octanoic acid{5-[(dibenzylamino)-methyl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl}-amide
SMILES:
CCCCCCCC(=O)Nc1nc2[nH]cc(CN(Cc3ccccc3)Cc3ccccc3)c2c(=O)[nH]1Molecular Processing
Molecular formula
C29H35N5O2
Molecular weight
485.63
Exact mass
485.2791
XLogP
5.75
TPSA
93.88
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
144.56
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→