2-methylpropyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate

2-methylpropyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate

CAS: 1219373-14-4

Formula: C12H19BrN2O4

SMILES: CC(C)COC(=O)CC1N(CCNC1=O)C(=O)CBr

IUPAC: 2-methylpropyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate

InChI: InChI=1/C12H19BrN2O4/c1-8(2)7-19-11(17)5-9-12(18)14-3-4-15(9)10(16)6-13/h8-9H,3-7H2,1-2H3,(H,14,18)

Composition: C (43.00%), H (5.71%), Br (23.84%), N (8.36%), O (19.09%)

Molar Mass: 335.198

Atom Count: 38

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	334.05282
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KVTJOCBYFRTXII-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.87
Topological Polar Surface Area	75.71
Polarizability	28.25
Ring Count	1
Rotatable Bond Count	6

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