5,16',18',18'-tetramethyl-2',4'-diazaspiro[1,5-diazinane-3,14'-pentacyclo[14.3.1.02,15.03,12.05,10]icosane]-3'(12'),4',6',8',10'-pentaene-2,4,6-trione

• ChemBase ID: 218212
• Molecular Formular: C25H28N4O3
• Molecular Mass: 432.51482
• Monoisotopic Mass: 432.21614078
• SMILES: C12(C(=O)N(C(=O)NC1=O)C)C1N(c3nc4c(cc3C2)cccc4)C2CC1(CC(C2)(C)C)C
• Canonical SMILES: O=C1NC(=O)C2(C(=O)N1C)Cc1cc3ccccc3nc1N1C2C2(C)CC1CC(C2)(C)C
• InChI: InChI=1S/C25H28N4O3/c1-23(2)11-16-12-24(3,13-23)19-25(20(30)27-22(32)28(4)21(25)31)10-15-9-14-7-5-6-8-17(14)26-18(15)29(16)19/h5-9,16,19H,10-13H2,1-4H3,(H,27,30,32)
• InChIKey: STYLTALLJCVUIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,16',18',18'-tetramethyl-2',4'-diazaspiro[1,5-diazinane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4,6-trione
• IUPAC Traditional name: 5,16',18',18'-tetramethyl-2',4'-diazaspiro[1,5-diazinane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4,6-trione

Database IDs

• PubChem SID: 164274122
• PubChem CID: 16408190

CALCULATED PROPERTIES

• Acid pKa: 8.428231
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6975286
• LogD (pH = 7.4): 3.9544427
• Log P: 3.998944
• Molar Refractivity: 119.065 cm^3
• Polarizability: 47.112194 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds