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

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

CAS: 1219219-07-4

Formula: C18H31BrN2O4

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

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

InChI: InChI=1/C18H31BrN2O4/c1-2-3-4-5-6-7-8-9-12-25-17(23)13-15-18(24)20-10-11-21(15)16(22)14-19/h15H,2-14H2,1H3,(H,20,24)

Composition: C (51.55%), H (7.45%), Br (19.05%), N (6.68%), O (15.26%)

Molar Mass: 419.36

Atom Count: 56

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	418.14672
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CGWIMINMWGKQQT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.61
Topological Polar Surface Area	75.71
Polarizability	39.12
Ring Count	1
Rotatable Bond Count	13

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