N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3330-0674 |
| Compound Name: | N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)-5-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 428.42 |
| Molecular Formula: | C23 H12 N2 O5 S |
| Smiles: | c1ccc2C(c3cc(ccc3C(c2c1)=O)NC(c1cc2cc(ccc2s1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7549 |
| logD: | 5.7496 |
| logSw: | -6.2075 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.4 |
| InChI Key: | YUKOAAIHLXOBDV-UHFFFAOYSA-N |