N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 8013-1778 |
| Compound Name: | N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C26 H19 N3 O5 |
| Smiles: | Cc1c(CCNC(c2ccc3C(c4ccccc4C(c3c2[N+]([O-])=O)=O)=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.1266 |
| logD: | 5.1248 |
| logSw: | -5.3138 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.141 |
| InChI Key: | KCGSIUAAEXGOFA-UHFFFAOYSA-N |