2-{[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid
2-{[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | Y021-3530 |
| Compound Name: | 2-{[(4,4,8-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]sulfanyl}benzoic acid |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C22 H19 N O4 S |
| Smiles: | Cc1cc2C(CSc3ccccc3C(O)=O)=CC(C)(C)N3C(C(c(c1)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1106 |
| logD: | 1.4992 |
| logSw: | -4.2221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.976 |
| InChI Key: | MZHLXYRKEMXYEP-UHFFFAOYSA-N |