Molecule ID: 4842

IUPAC Name: 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one

Description: The molecule is an N-acylpiperazine that is piperazine in which each of the nitrogens has been acylated by a 3-bromopropionoyl group. An anti-cancer drug. It has a role as an antineoplastic agent and an alkylating agent. It is a N-acylpiperazine, a tertiary carboxamide and an organobromine compound.

SMILES: O=C(CCBr)N1CCN(C(=O)CCBr)CC1

SELFIES: [O][=C][Branch1][Ring2][C][C][Br][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][Br][C][C][Ring1][O]

InChI: InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2

Molecular Properties:
- Polar Surface Area: 40.6 Ų
- LogP: 0.4