methyl 4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
methyl 4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8013-2625 |
| Compound Name: | methyl 4-[(3-[(4-chlorophenyl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate |
| Molecular Weight: | 580.06 |
| Molecular Formula: | C29 H26 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1\N(Cc2ccc(cc2)[Cl])C(CC(C(Nc2ccc(cc2)C(=O)OC)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0052 |
| logD: | 6.005 |
| logSw: | -6.1575 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.066 |
| InChI Key: | GDVOFFLZJXVMDB-XMMPIXPASA-N |