ethyl 4-[(4-oxo-3-[(pyridin-3-yl)methyl]-2-{[(pyridin-3-yl)methyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 4-[(4-oxo-3-[(pyridin-3-yl)methyl]-2-{[(pyridin-3-yl)methyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1)
ethyl 4-[(4-oxo-3-[(pyridin-3-yl)methyl]-2-{[(pyridin-3-yl)methyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8015-9437 |
| Compound Name: | ethyl 4-[(4-oxo-3-[(pyridin-3-yl)methyl]-2-{[(pyridin-3-yl)methyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 582.48 |
| Molecular Formula: | C26 H23 N5 O4 S |
| Salt: | HBr |
| Smiles: | CCOC(c1ccc(cc1)NC(C1=CC(N(Cc2cccnc2)/C(=N/Cc2cccnc2)S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2534 |
| logD: | 3.2482 |
| logSw: | -3.2339 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.447 |
| InChI Key: | WVEWXVZYFXHPAH-WCTVFOPTSA-N |