6-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
6-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
6-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y041-2036 |
| Compound Name: | 6-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C21 H17 N O6 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9829 |
| logD: | 3.9829 |
| logSw: | -4.3574 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.074 |
| InChI Key: | CDVDKJSPMJMLDM-UHFFFAOYSA-N |