CC1=CC(=O)N(C2=C1C=CC(=C2)C3CC3)CCN4CCC(CC4)NCC5=CC6=C(C=C5)OCCO6.Cl
이름: 7-cyclopropyl-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one;hydrochloride
SMILES: CC1=CC(=O)N(C2=C1C=CC(=C2)C3CC3)CCN4CCC(CC4)NCC5=CC6=C(C=C5)OCCO6.Cl

Molecular Processing

Molecular formula
C29H36ClN3O3
Molecular weight
510.08
Exact mass
509.2445
XLogP
4.63
TPSA
55.73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.483
Molar refractivity
145.9

Supplementary Information

InChIKey: GZPHLWVDSKEYIS-UHFFFAOYSA-N
동의어
SCHEMBL2798044GZPHLWVDSKEYIS-UHFFFAOYSA-N7-cyclopropyl-1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-4-methylquinolin-2(1H)-one hydrochloride
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