3,5-dimethyl-4-({6-methyl-3-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]furo[3,4-c]pyridin-1(3H)-ylidene}methyl)-1H-pyrrole-2-carbonitrile
Chemical Structure Depiction of
3,5-dimethyl-4-({6-methyl-3-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]furo[3,4-c]pyridin-1(3H)-ylidene}methyl)-1H-pyrrole-2-carbonitrile
3,5-dimethyl-4-({6-methyl-3-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]furo[3,4-c]pyridin-1(3H)-ylidene}methyl)-1H-pyrrole-2-carbonitrile
Compound characteristics
| Compound ID: | 8017-5675 |
| Compound Name: | 3,5-dimethyl-4-({6-methyl-3-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]furo[3,4-c]pyridin-1(3H)-ylidene}methyl)-1H-pyrrole-2-carbonitrile |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C24 H19 N3 O3 S |
| Smiles: | Cc1c(/C=C2/c3cc(C)nc(c3C(=O)O2)SCC(c2ccccc2)=O)c(C)[nH]c1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.0004 |
| logD: | 4.0004 |
| logSw: | -4.3251 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.115 |
| InChI Key: | DKPVJPAJLUIXJQ-UHFFFAOYSA-N |