6-nitro-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-nitro-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0518 |
| Compound Name: | 6-nitro-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 411.37 |
| Molecular Formula: | C21 H17 N O8 |
| Smiles: | COc1cc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1398 |
| logD: | 3.1398 |
| logSw: | -3.5673 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.495 |
| InChI Key: | DBJPTOXCOLTATP-UHFFFAOYSA-N |