methyl 4-{[3-ethyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-ethyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate
methyl 4-{[3-ethyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | 4514-2017 |
| Compound Name: | methyl 4-{[3-ethyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCN1/C(=N/c2ccc(cc2)C(=O)OC)SC(CC1=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3153 |
| logD: | 3.3153 |
| logSw: | -3.6006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.309 |
| InChI Key: | ZLZVHEXREAPOTQ-KRWDZBQOSA-N |