4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
Chemical Structure Depiction of
4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | Y512-9811 |
| Compound Name: | 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C19 H17 N O4 |
| Smiles: | Cc1c2C(=CC=CC(c2c(C)n1c1ccc(cc1)C(O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.865 |
| logD: | -0.0211 |
| logSw: | -3.059 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.82 |
| InChI Key: | DOYOMWGGFUTYAT-UHFFFAOYSA-N |