이름: benzyl(3-(benzyloxy)-2-((3-(4-fluorophenyl)-2-oxopropyl)carbamoyl)-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate
SMILES:
O=C(CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)CC1)Cc1ccc(F)cc1Molecular Processing
Molecular formula
C36H35FN4O6
Molecular weight
638.7
Exact mass
638.2541
XLogP
4.83
TPSA
128.62
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
47
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.306
Molar refractivity
170.11
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→