N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8013-3837 |
| Compound Name: | N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H21 N3 O6 |
| Smiles: | Cc1ccc2c(c1)c(CCNC(C1=Cc3cc(cc(c3OC1=O)OC)[N+]([O-])=O)=O)c(C)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.4658 |
| logD: | 3.4658 |
| logSw: | -3.9894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.037 |
| InChI Key: | LZGYKIGMHGJIFW-UHFFFAOYSA-N |