4,4,6-trimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methoxybenzoate
Chemical Structure Depiction of
4,4,6-trimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methoxybenzoate
4,4,6-trimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methoxybenzoate
Compound characteristics
| Compound ID: | Y020-5984 |
| Compound Name: | 4,4,6-trimethyl-2-oxo-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methoxybenzoate |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C25 H20 N2 O5 S2 |
| Smiles: | CC1=CC(C)(C)N2C(C(=C3/C(NC(=S)S3)=O)/c3cc(cc1c23)OC(c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9533 |
| logD: | 1.5387 |
| logSw: | -4.2483 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.363 |
| InChI Key: | WQUFYZTWNMMDRC-UHFFFAOYSA-N |