2-[(4-chlorophenyl)methyl]-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
2-[(4-chlorophenyl)methyl]-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
Compound characteristics
| Compound ID: | 8013-0727 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one |
| Molecular Weight: | 341.84 |
| Molecular Formula: | C20 H20 Cl N O2 |
| Smiles: | CCOC1=CC=CC(c2c1c(C)n(Cc1ccc(cc1)[Cl])c2C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5764 |
| logD: | 4.5764 |
| logSw: | -4.9354 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.2496 |
| InChI Key: | PTQJXFLYSQXYEP-UHFFFAOYSA-N |