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

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

CAS: 1219342-25-2

Formula: C13H21BrN2O4

SMILES: CCCCCOC(=O)CC1N(CCNC1=O)C(=O)CBr

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

InChI: InChI=1/C13H21BrN2O4/c1-2-3-4-7-20-12(18)8-10-13(19)15-5-6-16(10)11(17)9-14/h10H,2-9H2,1H3,(H,15,19)

Composition: C (44.71%), H (6.06%), Br (22.88%), N (8.02%), O (18.33%)

Molar Mass: 349.225

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	348.06847
Formal Charge	0
FSP3	0.77
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TVHUDMZCPUKKNR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.6
Topological Polar Surface Area	75.71
Polarizability	30.06
Ring Count	1
Rotatable Bond Count	8

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