2-[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | C797-1624 |
| Compound Name: | 2-[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nc2cccnc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2227 |
| logD: | 2.2151 |
| logSw: | -2.6426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.362 |
| InChI Key: | RMRKCBOCGHPTEV-UHFFFAOYSA-N |