3,4-dimethyl-9-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205368
• Molecular Formular: C23H23NO3
• Molecular Mass: 361.43362
• Monoisotopic Mass: 361.1677936
• SMILES: c12c3CN(C4c5c(CCC4)cccc5)COc3ccc2c(c(c(=O)o1)C)C
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1C)C)C1CCCc2c1cccc2
• InChI: InChI=1S/C23H23NO3/c1-14-15(2)23(25)27-22-17(14)10-11-21-19(22)12-24(13-26-21)20-9-5-7-16-6-3-4-8-18(16)20/h3-4,6,8,10-11,20H,5,7,9,12-13H2,1-2H3
• InChIKey: KZTVSWWCXDUAJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethyl-9-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 3,4-dimethyl-9-(1,2,3,4-tetrahydronaphthalen-1-yl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261278
• PubChem CID: 3634426

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6813273
• LogD (pH = 7.4): 4.9100165
• Log P: 4.9138722
• Molar Refractivity: 104.8285 cm^3
• Polarizability: 40.687504 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds