6-({[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-({[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
6-({[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | Y041-6438 |
| Compound Name: | 6-({[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 513.5 |
| Molecular Formula: | C29 H23 N O8 |
| Smiles: | CN1C(COc2ccc(cc12)C(COc1ccc2c(c1)c(co2)C(c1ccc2c(c1)OCCCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1225 |
| logD: | 3.1225 |
| logSw: | -3.4396 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.761 |
| InChI Key: | QTODDDBFBQUXCV-UHFFFAOYSA-N |