CCN(CC)C1=CN=C2CCC(N2C1=O)C(=O)NCC3=CC=C(C=C3)C(=N)NC(=O)OC(C)(C)C
Название: tert-butyl N-[4-[[[(6S)-3-(diethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate
SMILES: CCN(CC)C1=CN=C2CCC(N2C1=O)C(=O)NCC3=CC=C(C=C3)C(=N)NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C25H34N6O4
Molecular weight
482.59
Exact mass
482.2642
XLogP
2.74
TPSA
129.41
H-bond donors
3
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
0.48
Molar refractivity
133.9

Supplementary Information

InChIKey: CVGBVXJEIXMSOR-SFHVURJKSA-N
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