8'-methoxy-1,5,16',18',18'-pentamethyl-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: 218314
• Molecular Formular: C27H32N4O4
• Molecular Mass: 476.56738
• Monoisotopic Mass: 476.24235552
• SMILES: C12(C(=O)N(C(=O)N(C1=O)C)C)C1N(c3nc4c(cc3C2)cc(cc4)OC)C2CC1(CC(C2)(C)C)C
• Canonical SMILES: COc1ccc2c(c1)cc1c(n2)N2C3CC(CC(C2C2(C1)C(=O)N(C)C(=O)N(C2=O)C)(C3)C)(C)C
• InChI: InChI=1S/C27H32N4O4/c1-25(2)12-17-13-26(3,14-25)21-27(22(32)29(4)24(34)30(5)23(27)33)11-16-9-15-10-18(35-6)7-8-19(15)28-20(16)31(17)21/h7-10,17,21H,11-14H2,1-6H3
• InChIKey: VWPPQABJUJNTQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8'-methoxy-1,5,16',18',18'-pentamethyl-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: 8'-methoxy-1,5,16',18',18'-pentamethyl-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: 164274224
• PubChem CID: 16408286

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.7164276
• LogD (pH = 7.4): 4.0581512
• Log P: 4.064949
• Molar Refractivity: 130.4249 cm^3
• Polarizability: 51.47408 Å^3
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds