Name: 4-[1-(5-cyclopropyl-isoxazol-3-ylcarbamoyl)-1H-indol-5-yloxy]-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid 7-tert-butyl ester 6-ethyl ester
SMILES:
CCOC(=O)C1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)CN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C30H32N6O7
Molecular weight
588.62
Exact mass
588.2332
XLogP
5.39
TPSA
150.91
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
152.84
Supplementary Information
Details werden geladen…
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