2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl]methyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl]methyl}sulfanyl)benzoic acid
2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl]methyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | Y021-3532 |
| Compound Name: | 2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl]methyl}sulfanyl)benzoic acid |
| Molecular Weight: | 512.6 |
| Molecular Formula: | C24 H17 F N2 O4 S3 |
| Smiles: | CC1(C)C=C(CSc2ccccc2C(O)=O)c2cc(cc3\C(=C4/C(NC(=S)S4)=O)C(N1c23)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.4609 |
| logD: | 1.8495 |
| logSw: | -4.303 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.491 |
| InChI Key: | LNLGYCALTUHMMQ-UHFFFAOYSA-N |