1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methylbenzoate
Chemical Structure Depiction of
1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methylbenzoate
1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methylbenzoate
Compound characteristics
| Compound ID: | Y020-5982 |
| Compound Name: | 1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methylbenzoate |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C27 H24 N2 O4 S2 |
| Smiles: | CCN1C(/C(=C2C(N3c4c(cc(cc\24)OC(c2ccccc2C)=O)C(C)=CC3(C)C)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4779 |
| logD: | 5.4779 |
| logSw: | -5.419 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 53.271 |
| InChI Key: | JXKHRXYHLOXGFX-UHFFFAOYSA-N |