methyl 4-[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)hexanamido]benzoate
Chemical Structure Depiction of
methyl 4-[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)hexanamido]benzoate
methyl 4-[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)hexanamido]benzoate
Compound characteristics
| Compound ID: | 3795-0524 |
| Compound Name: | methyl 4-[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)hexanamido]benzoate |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C32 H30 N2 O5 |
| Smiles: | CCCCC(C(Nc1ccc(cc1)C(=O)OC)=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0529 |
| logD: | 5.0525 |
| logSw: | -4.8247 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | YAGHYOBBZABUMG-UHFFFAOYSA-N |