methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 8012-5041 |
| Compound Name: | methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | CCN1\C(=N/c2ccc3c(c2)OCO3)SC(CC1=O)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6427 |
| logD: | 3.6419 |
| logSw: | -3.9534 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.424 |
| InChI Key: | NGBUVYNPZZPJLV-SFHVURJKSA-N |