methyl 4-[(3-[(4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1)
Chemical Structure Depiction of
methyl 4-[(3-[(4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1)
methyl 4-[(3-[(4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8015-9944 |
| Compound Name: | methyl 4-[(3-[(4-fluorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl)amino]benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 602.45 |
| Molecular Formula: | C27 H21 F2 N3 O4 S |
| Salt: | HBr |
| Smiles: | COC(c1ccc(cc1)NC(C1=CC(N(Cc2ccc(cc2)F)/C(=N/Cc2ccc(cc2)F)S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4272 |
| logD: | 5.4248 |
| logSw: | -5.3798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.831 |
| InChI Key: | CIRSKNLXVLVNHO-IKPAITLHSA-N |