2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(2-ethoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(2-ethoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(2-ethoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8014-0329 |
| Compound Name: | 2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(2-ethoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Salt: | HBr |
| Smiles: | CCOc1ccccc1N(CC(c1ccc(cc1)[N+]([O-])=O)=O)C1=NCCCS1 |
| Stereo: | ACHIRAL |
| logP: | 4.3235 |
| logD: | 2.5834 |
| logSw: | -4.2898 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.443 |
| InChI Key: | IGXMTAXLMXBLKG-UHFFFAOYSA-N |