N-(3-bromophenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-(3-bromophenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 0310-0113 |
| Compound Name: | N-(3-bromophenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 451.23 |
| Molecular Formula: | C21 H11 Br N2 O5 |
| Smiles: | c1ccc2C(c3c(ccc(C(Nc4cccc(c4)[Br])=O)c3[N+]([O-])=O)C(c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5191 |
| logD: | 4.2065 |
| logSw: | -5.8248 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.051 |
| InChI Key: | KVDFLHRUJPKLIR-UHFFFAOYSA-N |