3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one
Chemical Structure Depiction of
3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one
3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one
Compound characteristics
| Compound ID: | Y021-1014 |
| Compound Name: | 3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CC1=CC(C)(C)N(C)c2cc3c(C=C(C(CSc4nc(C)cc(C)n4)=O)C(=O)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 4.3222 |
| logD: | 4.3222 |
| logSw: | -4.4578 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.58 |
| InChI Key: | QWUFZEYXZDGHHQ-UHFFFAOYSA-N |