5-methyl-2-(propan-2-yl)cyclohexyl 2-(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
5-methyl-2-(propan-2-yl)cyclohexyl 2-(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
5-methyl-2-(propan-2-yl)cyclohexyl 2-(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: | 8009-2419 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 2-(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: | 513.68 |
| Molecular Formula: | C33 H39 N O4 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(C(C(C)C)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8174 |
| logD: | 6.8174 |
| logSw: | -5.6809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.32 |
| InChI Key: | LBRKCGPPIMREDK-UHFFFAOYSA-N |