methyl 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
methyl 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8015-8554 |
| Compound Name: | methyl 4-[(2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoate |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C30 H29 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc(cc2)OC)C(CC(C(Nc2ccc(cc2)C(=O)OC)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3929 |
| logD: | 5.3927 |
| logSw: | -5.3106 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.61 |
| InChI Key: | PSYHYJVSDDJHMJ-VWLOTQADSA-N |