methyl 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
methyl 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)
methyl 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: | 8015-9428 |
| Compound Name: | methyl 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: | 568.45 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Salt: | HBr |
| Smiles: | COC(c1ccc(cc1)NC(C1=CC(N(Cc2cccnc2)/C(=N/Cc2cccnc2)S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7428 |
| logD: | 2.7375 |
| logSw: | -3.0125 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.867 |
| InChI Key: | APPHEOCFWHIXPX-FVDSYPCUSA-N |