CC1CCCN1C2CCN(C2)C3=CC(=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5)C
Nombre: N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILES: CC1CCCN1C2CCN(C2)C3=CC(=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5)C

Molecular Processing

Molecular formula
C25H31N3O3
Molecular weight
421.54
Exact mass
421.2365
XLogP
4.08
TPSA
54.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
122.58

Supplementary Information

InChIKey: CQDWLKFDDHGEDB-UHFFFAOYSA-N
Sinónimos
SCHEMBL2419281CQDWLKFDDHGEDB-UHFFFAOYSA-N2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-amide2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid[2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-amide
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