2-(4-methoxyphenyl)-2-oxoethyl 2-(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)-3-methylbutanoate
Chemical Structure Depiction of
2-(4-methoxyphenyl)-2-oxoethyl 2-(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)-3-methylbutanoate
2-(4-methoxyphenyl)-2-oxoethyl 2-(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)-3-methylbutanoate
Compound characteristics
| Compound ID: | 8009-0170 |
| Compound Name: | 2-(4-methoxyphenyl)-2-oxoethyl 2-(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)-3-methylbutanoate |
| Molecular Weight: | 681.38 |
| Molecular Formula: | C32 H27 Br2 N O6 |
| Smiles: | CC(C)C(C(=O)OCC(c1ccc(cc1)OC)=O)N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5804 |
| logD: | 5.5804 |
| logSw: | -5.4315 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.942 |
| InChI Key: | FDZWUIKINWYMFI-UHFFFAOYSA-N |