2-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}-3H-naphtho[2,1-b]pyran-3-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}-3H-naphtho[2,1-b]pyran-3-one--hydrogen bromide (1/1)
2-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}-3H-naphtho[2,1-b]pyran-3-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8005-9297 |
| Compound Name: | 2-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}-3H-naphtho[2,1-b]pyran-3-one--hydrogen bromide (1/1) |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C19 H14 N2 O3 S |
| Salt: | HBr |
| Smiles: | Cn1ccnc1SCC(C1=Cc2c(ccc3ccccc23)OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9133 |
| logD: | 2.9126 |
| logSw: | -3.3437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.783 |
| InChI Key: | IKYPQZDSJKJMML-UHFFFAOYSA-N |