10-methyl-6-phenyl-3-(2-phenylpropyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 207405
• Molecular Formular: C27H25NO3
• Molecular Mass: 411.4923
• Monoisotopic Mass: 411.18344367
• SMILES: c12c(c(c3c(c2)CN(CO3)CC(c2ccccc2)C)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)CC(c1ccccc1)C
• InChI: InChI=1S/C27H25NO3/c1-18(20-9-5-3-6-10-20)15-28-16-22-13-24-23(21-11-7-4-8-12-21)14-25(29)31-27(24)19(2)26(22)30-17-28/h3-14,18H,15-17H2,1-2H3
• InChIKey: UPLOAVXAHJOQJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-6-phenyl-3-(2-phenylpropyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 10-methyl-6-phenyl-3-(2-phenylpropyl)-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164263315
• PubChem CID: 3750765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.17334
• LogD (pH = 7.4): 5.8114324
• Log P: 5.830388
• Molar Refractivity: 131.8281 cm^3
• Polarizability: 47.26733 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds