(2E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one

(2E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one

CAS: 1599432-08-2

Formula: C21H21BrN2O3

SMILES: COC1=CC=C(C=C1)C(=O)N1CCN(CC1)C(=O)C=CC1=CC=C(Br)C=C1

IUPAC: (2E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one

InChI: InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+

Composition: C (58.75%), H (4.93%), Br (18.61%), N (6.53%), O (11.18%)

Molar Mass: 429.314

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.073556
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OFHXXBRBGWUOHR-NYYWCZLTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.75
Topological Polar Surface Area	49.85
Polarizability	41.15
Ring Count	3
Rotatable Bond Count	4

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