3-chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 313067
• Molecular Formular: C14H11Cl3N2O3
• Molecular Mass: 361.60774
• Monoisotopic Mass: 359.98352526
• SMILES: c1(cc(ccc1Cl)N1C(=O)C(=C(C1=O)Cl)N1CCOCC1)Cl
• Canonical SMILES: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C(=C1N1CCOCC1)Cl
• InChI: InChI=1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
• InChIKey: MWSUIZKGNWELRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 3-chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione
• Synonyms: RAD51 inhibitor 1; RI-1

Database IDs

• CAS Number: 415713-60-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2840602
• LogD (pH = 7.4): 2.2840626
• Log P: 2.2840626
• Molar Refractivity: 85.1953 cm^3
• Polarizability: 32.28531 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base