Molecule ID: 25137957

IUPAC Name: 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one

Description: The molecule is a member of phenothiazines, a N-alkylpiperazine and an aromatic ketone. It has a role as a dopaminergic antagonist, an antiemetic and a phenothiazine antipsychotic drug.

SMILES: CCC(=O)c1ccc2c(c1)N(CCN1CCN(CCO)CC1)c1ccccc1S2

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

InChI: InChI=1S/C23H29N3O2S/c1-2-21(28)18-7-8-23-20(17-18)26(19-5-3-4-6-22(19)29-23)14-13-24-9-11-25(12-10-24)15-16-27/h3-8,17,27H,2,9-16H2,1H3

Molecular Properties:
- Polar Surface Area: 72.3 Ų
- LogP: 2.7