N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8013-6495 |
| Compound Name: | N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Smiles: | Cc1ccc2c(c1)c(CCNC(C1=Cc3cc(ccc3OC1=O)[N+]([O-])=O)=O)c(C)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.4867 |
| logD: | 3.4867 |
| logSw: | -4.0041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.722 |
| InChI Key: | AXWPODREJAKEPQ-UHFFFAOYSA-N |