3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y041-2031 |
| Compound Name: | 3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C22 H19 N O6 |
| Smiles: | C1CCC2=C(CC1)c1ccc(cc1OC2=O)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7437 |
| logD: | 4.7437 |
| logSw: | -4.7448 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.268 |
| InChI Key: | SJTGUILOFCEIQE-UHFFFAOYSA-N |