9-(2-phenylpropyl)-4-propyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205038
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: c12c3c(OCN(C3)CC(c3ccccc3)C)ccc1c(cc(=O)o2)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc1c2CN(CO1)CC(c1ccccc1)C
• InChI: InChI=1S/C23H25NO3/c1-3-7-18-12-22(25)27-23-19(18)10-11-21-20(23)14-24(15-26-21)13-16(2)17-8-5-4-6-9-17/h4-6,8-12,16H,3,7,13-15H2,1-2H3
• InChIKey: CYLHFDZDCWVPSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260948
• PubChem CID: 3769055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.572457
• LogD (pH = 7.4): 5.0606346
• Log P: 5.0723004
• Molar Refractivity: 106.7182 cm^3
• Polarizability: 41.424267 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds