الاسم: (E)-3-[4-(2-morpholin-4-yl-ethyl)-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]acrylic acid hydrochloride
SMILES:
Cl.O=C(O)/C=C/c1cnc2c(c1)CN(CCN1CCOCC1)CC(=O)N2Molecular Processing
Molecular formula
C17H23ClN4O4
Molecular weight
382.85
Exact mass
382.1408
XLogP
0.69
TPSA
95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.471
Molar refractivity
99.32
Supplementary Information
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