propyl 4-[4-(4-methoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl]benzoate

• ChemBase ID: 204576
• Molecular Formular: C28H25NO6
• Molecular Mass: 471.5012
• Monoisotopic Mass: 471.16818753
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1ccc(C(=O)OCCC)cc1
• Canonical SMILES: CCCOC(=O)c1ccc(cc1)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C28H25NO6/c1-3-14-33-28(31)19-4-8-20(9-5-19)29-16-24-25(34-17-29)13-12-22-23(15-26(30)35-27(22)24)18-6-10-21(32-2)11-7-18/h4-13,15H,3,14,16-17H2,1-2H3
• InChIKey: RDFONSAJVZZOHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 4-[4-(4-methoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl]benzoate
• IUPAC Traditional name: propyl 4-[4-(4-methoxyphenyl)-2-oxo-8H,10H-chromeno[8,7-e][1,3]oxazin-9-yl]benzoate

Database IDs

• PubChem SID: 164260486
• PubChem CID: 1769089

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.555116
• LogD (pH = 7.4): 5.555116
• Log P: 5.555116
• Molar Refractivity: 141.2073 cm^3
• Polarizability: 50.262173 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds