이름: ethyl 3-(benzyloxy)-10-(((benzyloxy)carbonyl)amino)-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate
SMILES:
CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C29H31N3O6
Molecular weight
517.58
Exact mass
517.2213
XLogP
4.32
TPSA
108.75
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
138.63
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→