N-(3-bromo-4-propoxyphenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]-2-{[2-(3,4-diethoxyphenyl)ethyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide
Chemical Structure Depiction of
N-(3-bromo-4-propoxyphenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]-2-{[2-(3,4-diethoxyphenyl)ethyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide
N-(3-bromo-4-propoxyphenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]-2-{[2-(3,4-diethoxyphenyl)ethyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide
Compound characteristics
| Compound ID: | 8014-7203 |
| Compound Name: | N-(3-bromo-4-propoxyphenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]-2-{[2-(3,4-diethoxyphenyl)ethyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide |
| Molecular Weight: | 849.68 |
| Molecular Formula: | C38 H46 Br N3 O7 S |
| Salt: | HBr |
| Smiles: | CCCOc1ccc(cc1[Br])NC(C1=CC(N(CCc2ccc(c(c2)OCC)OCC)\C(=N/CCc2ccc(c(c2)OCC)OCC)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1446 |
| logD: | 7.1344 |
| logSw: | -5.5574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.822 |
| InChI Key: | KORRJIRGXBOVGN-UHFFFAOYSA-N |