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4-nitrophenyl 4-(4-methoxyphenyl)piperazine-1-carboxylate

4-nitrophenyl 4-(4-methoxyphenyl)piperazine-1-carboxylate

CAS: 1338574-93-8

Formula: C18H19N3O5

SMILES: COC1=CC=C(C=C1)N1CCN(CC1)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-nitrophenyl 4-(4-methoxyphenyl)piperazine-1-carboxylate

InChI: InChI=1S/C18H19N3O5/c1-25-16-6-2-14(3-7-16)19-10-12-20(13-11-19)18(22)26-17-8-4-15(5-9-17)21(23)24/h2-9H,10-13H2,1H3

Composition: C (60.50%), H (5.36%), N (11.76%), O (22.38%)

Molar Mass: 357.366

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 357.132470724
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey TULVXRNEEQWFGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.99
Topological Polar Surface Area 85.15
Polarizability 35.85
Ring Count 3
Rotatable Bond Count 5

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