1-[3-(10H-phenothiazin-10-yl)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 177042
• Molecular Formular: C19H16N2O2S
• Molecular Mass: 336.40754
• Monoisotopic Mass: 336.09324876
• SMILES: c1ccc2c(c1)N(c1c(S2)cccc1)CCCN1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1CCCN1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C19H16N2O2S/c22-18-10-11-19(23)21(18)13-5-12-20-14-6-1-3-8-16(14)24-17-9-4-2-7-15(17)20/h1-4,6-11H,5,12-13H2
• InChIKey: FEQITQGMLBRGJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(10H-phenothiazin-10-yl)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-[3-(phenothiazin-10-yl)propyl]pyrrole-2,5-dione
• Synonyms: 1-[3-(10H-Phenothiazin-10-yl)propyl]-1H-pyrrole-2,5-dione; N-Propylmaleimide Phenothiazine

Database IDs

• PubChem SID: 164232952
• PubChem CID: 71751846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3285592
• LogD (pH = 7.4): 3.3285592
• Log P: 3.3285592
• Molar Refractivity: 97.2115 cm^3
• Polarizability: 36.56569 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P835950

N-Propylmaleimide Phenothiazine is the maleimide analogue of the antipsychotic Promazine (P756300).