Name: 4-[1-(5-tert-butyl-2H-pyrazol-3-ylcarbamoyl)-1H-indol-5-yloxy]-6-methyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
SMILES:
CC1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)n[nH]3)c2)CN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C29H35N7O4
Molecular weight
545.64
Exact mass
545.2751
XLogP
6.01
TPSA
127.26
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
150.69
Supplementary Information
Details werden geladen…
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