ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Compound characteristics
| Compound ID: | 8012-6828 |
| Compound Name: | ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C27 H35 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1\N(CCC23CC4CC(CC(C4)C3)C2)C(CC(C(NC)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0531 |
| logD: | 5.0531 |
| logSw: | -4.4835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.648 |
| InChI Key: | RXHFXIQXXTVTLR-LBEMBMLNSA-N |