名称: 2-[[3-[(1,3-benzodioxol-5-ylmethyl)amino](methyl)propyl][2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]acetic acid, ethyl ester
SMILES:
CCOC(=O)CN(CCC(C)NCc1ccc2c(c1)OCO2)c1cc(C)nc(-n2ccnc2)n1Molecular Processing
Molecular formula
C24H30N6O4
Molecular weight
466.54
Exact mass
466.2329
XLogP
2.64
TPSA
103.63
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
126.22
Supplementary Information
詳細情報を取得中…
10 件の反応に参加→