이름: benzyl(3-(benzyloxy)-2-(hydrazinylcarbonyl)-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate
SMILES:
NNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C27H29N5O5
Molecular weight
503.56
Exact mass
503.2169
XLogP
2.75
TPSA
137.57
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
134.32
Supplementary Information
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