N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8013-4384 |
| Compound Name: | N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 470.28 |
| Molecular Formula: | C21 H16 Br N3 O5 |
| Smiles: | Cc1c(CCNC(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)c2cc(ccc2[nH]1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7527 |
| logD: | 3.7527 |
| logSw: | -4.3581 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.722 |
| InChI Key: | NQJDUAYMQAKIHN-UHFFFAOYSA-N |