N-(3-methylpent-1-yn-3-yl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-(3-methylpent-1-yn-3-yl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-(3-methylpent-1-yn-3-yl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 8015-1160 |
| Compound Name: | N-(3-methylpent-1-yn-3-yl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C21 H16 N2 O5 |
| Smiles: | CCC(C)(C#C)NC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3345 |
| logD: | 4.3344 |
| logSw: | -4.6328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.403 |
| InChI Key: | ZURMFGOUVKHGMB-OAQYLSRUSA-N |