이름: {3-[4-(9-chloro-6-oxo-6,7-dihydro-5H-benzo[b]pyrimido[4,5-d]azepin-2-ylamino)-phenyl]-prop-2-ynyl}-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)NCC#Cc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1Molecular Processing
Molecular formula
C26H24ClN5O3
Molecular weight
489.96
Exact mass
489.1568
XLogP
4.91
TPSA
105.24
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
135.65
Supplementary Information
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