4,4-dimethyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Chemical Structure Depiction of
4,4-dimethyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
4,4-dimethyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Compound characteristics
| Compound ID: | Y021-2279 |
| Compound Name: | 4,4-dimethyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C21 H17 N5 O2 S |
| Smiles: | CC1(C)C=C(CSc2nnnn2c2ccccc2)c2cccc3C(C(N1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4895 |
| logD: | 3.4895 |
| logSw: | -3.9202 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.49 |
| InChI Key: | FEWIBPLGWKONBQ-UHFFFAOYSA-N |