이름: 2,6-dimethyl-3-isopropoxycarbonyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid 3, 4-dichlorobenzyl ester
SMILES:
CC1=C(C(=O)OCc2ccc(Cl)c(Cl)c2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1Molecular Processing
Molecular formula
C25H24Cl2N2O6
Molecular weight
519.38
Exact mass
518.1011
XLogP
5.83
TPSA
107.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
131.86
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→