N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-methyl-3-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}propanamide

• ChemBase ID: 218441
• Molecular Formular: C26H25NO6S
• Molecular Mass: 479.5448
• Monoisotopic Mass: 479.14025853
• SMILES: S1(=O)(=O)CC(N(C(=O)CCc2c(c3c(oc2=O)cc2c(c(co2)c2ccccc2)c3)C)C)CC1
• Canonical SMILES: O=C(N(C1CCS(=O)(=O)C1)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C26H25NO6S/c1-16-19(8-9-25(28)27(2)18-10-11-34(30,31)15-18)26(29)33-24-13-23-21(12-20(16)24)22(14-32-23)17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15H2,1-2H3
• InChIKey: BFUKTHBSKAESPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-methyl-3-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}propanamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-methyl-3-{5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}propanamide

Database IDs

• PubChem SID: 164274351
• PubChem CID: 16408406

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.27404
• LogD (pH = 7.4): 2.2740421
• Log P: 2.2740421
• Molar Refractivity: 127.199 cm^3
• Polarizability: 52.248264 Å^3
• Polar Surface Area: 93.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds