ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-[(4-fluorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-[(4-fluorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-[(4-fluorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Compound characteristics
| Compound ID: | 8013-5312 |
| Compound Name: | ethyl 4-({3-[2-(adamantan-1-yl)ethyl]-6-[(4-fluorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate |
| Molecular Weight: | 577.72 |
| Molecular Formula: | C32 H36 F N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1\N(CCC23CC4CC(CC(C4)C3)C2)C(CC(C(Nc2ccc(cc2)F)=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0436 |
| logD: | 7.0434 |
| logSw: | -5.759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.904 |
| InChI Key: | UTBKKCUNJXDTMP-IALHBCRKSA-N |