2-(4-methoxyphenyl)-2-oxoethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Chemical Structure Depiction of
2-(4-methoxyphenyl)-2-oxoethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
2-(4-methoxyphenyl)-2-oxoethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Compound characteristics
| Compound ID: | 8009-0168 |
| Compound Name: | 2-(4-methoxyphenyl)-2-oxoethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate |
| Molecular Weight: | 639.3 |
| Molecular Formula: | C29 H21 Br2 N O6 |
| Smiles: | COc1ccc(cc1)C(COC(CN1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.618 |
| logD: | 4.618 |
| logSw: | -4.4677 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.386 |
| InChI Key: | IXFWYROAVGFDMM-UHFFFAOYSA-N |