8-bromo-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
8-bromo-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
8-bromo-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-9136 |
| Compound Name: | 8-bromo-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C23 H20 Br N3 O2 S |
| Smiles: | CC1(CC(C)(C)N2C(C(=C3/C(NC(=N)S3)=O)/c3cc(cc1c23)[Br])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.94 |
| logD: | 3.41 |
| logSw: | -5.19 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.56 |
| InChI Key: | MDZQOPBCKAONHZ-QHCPKHFHSA-N |