6-(4-chlorophenyl)-4,4,6,8-tetramethyl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
6-(4-chlorophenyl)-4,4,6,8-tetramethyl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
6-(4-chlorophenyl)-4,4,6,8-tetramethyl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-2960 |
| Compound Name: | 6-(4-chlorophenyl)-4,4,6,8-tetramethyl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 469.02 |
| Molecular Formula: | C24 H21 Cl N2 O2 S2 |
| Smiles: | Cc1cc2\C(=C3/C(NC(=S)S3)=O)C(N3c2c(c1)C(C)(CC3(C)C)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8678 |
| logD: | 2.4532 |
| logSw: | -4.8317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.083 |
| InChI Key: | LQOFOHDZLFEYGC-DEOSSOPVSA-N |