4-methyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
4-methyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
4-methyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y041-2032 |
| Compound Name: | 4-methyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C23 H21 N O6 |
| Smiles: | Cc1c(ccc2C3CCCCCC=3C(=O)Oc12)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2761 |
| logD: | 5.2761 |
| logSw: | -5.2354 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.039 |
| InChI Key: | HHLAYAUAEJRANG-UHFFFAOYSA-N |