8-bromo-6-(4-chlorophenyl)-1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
8-bromo-6-(4-chlorophenyl)-1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
8-bromo-6-(4-chlorophenyl)-1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-9210 |
| Compound Name: | 8-bromo-6-(4-chlorophenyl)-1-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 561.95 |
| Molecular Formula: | C25 H22 Br Cl N2 O2 S2 |
| Smiles: | CCN1C(/C(=C2C(N3c4c/2cc(cc4C(C)(CC3(C)C)c2ccc(cc2)[Cl])[Br])=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3 |
| logD: | 6.3 |
| logSw: | -7.01 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 98.01 |
| InChI Key: | AATWITPUFKDVEH-VWLOTQADSA-N |