8-methoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
8-methoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
8-methoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8016-0162 |
| Compound Name: | 8-methoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C22 H19 N3 O6 |
| Smiles: | Cc1c(CCNC(C2=Cc3cc(cc(c3OC2=O)OC)[N+]([O-])=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8428 |
| logD: | 2.8428 |
| logSw: | -3.5798 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.037 |
| InChI Key: | IDUWYTFISIHDER-UHFFFAOYSA-N |