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1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one

1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one

CAS: 7381-13-7

Formula: C20H24N2O4

SMILES: O=C(N1CCCCCC1=O)C1=CC(=CC=C1)C(=O)N1CCCCCC1=O

IUPAC: 1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one

InChI: InChI=1S/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2

Composition: C (67.40%), H (6.79%), N (7.86%), O (17.96%)

Molar Mass: 356.422

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 356.173607261
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey HXZRLUTUNSQNCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.33
Topological Polar Surface Area 74.76
Polarizability 36.81
Ring Count 3
Rotatable Bond Count 2

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