2-{[(8-ethyl-4,4-dimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[(8-ethyl-4,4-dimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid
2-{[(8-ethyl-4,4-dimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | Y021-3531 |
| Compound Name: | 2-{[(8-ethyl-4,4-dimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C23 H21 N O4 S |
| Smiles: | CCc1cc2C(CSc3ccccc3C(O)=O)=CC(C)(C)N3C(C(c(c1)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7777 |
| logD: | 2.1663 |
| logSw: | -4.3551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.976 |
| InChI Key: | QLCWBFRCPYKHGQ-UHFFFAOYSA-N |