Название: 4-{3-[4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoylamino]-propyl}-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
COc1cc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2CMolecular Processing
Molecular formula
C33H46F2N8O5
Molecular weight
672.78
Exact mass
672.3559
XLogP
4.26
TPSA
132.47
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
48
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.606
Molar refractivity
177.46
Supplementary Information
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