7,8-dimethoxy-4-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-2,2,3-trimethyl-2,3-dihydro-1H-3-benzazepine

• ChemBase ID: 224683
• Molecular Formular: C27H32N2O4
• Molecular Mass: 448.55398
• Monoisotopic Mass: 448.23620751
• SMILES: c1(c(n(c2c1cc(cc2)OC)C)C)C(=O)C1=Cc2c(CC(N1C)(C)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1ccc2c(c1)c(c(n2C)C)C(=O)C1=Cc2cc(OC)c(cc2CC(N1C)(C)C)OC
• InChI: InChI=1S/C27H32N2O4/c1-16-25(20-14-19(31-6)9-10-21(20)28(16)4)26(30)22-11-17-12-23(32-7)24(33-8)13-18(17)15-27(2,3)29(22)5/h9-14H,15H2,1-8H3
• InChIKey: KPWBDFHXNWVGMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxy-4-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-2,2,3-trimethyl-2,3-dihydro-1H-3-benzazepine
• IUPAC Traditional name: 7,8-dimethoxy-4-(5-methoxy-1,2-dimethylindole-3-carbonyl)-2,2,3-trimethyl-1H-3-benzazepine

Database IDs

• PubChem SID: 164280593
• PubChem CID: 52905198

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.2680607
• LogD (pH = 7.4): 4.3352137
• Log P: 4.3361406
• Molar Refractivity: 133.4603 cm^3
• Polarizability: 51.15954 Å^3
• Polar Surface Area: 52.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds