2-[(4-chlorophenyl)imino]-3-{2-[2-nitro-4-(trifluoromethyl)anilino]ethyl}-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)imino]-3-{2-[2-nitro-4-(trifluoromethyl)anilino]ethyl}-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
2-[(4-chlorophenyl)imino]-3-{2-[2-nitro-4-(trifluoromethyl)anilino]ethyl}-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 8015-8583 |
| Compound Name: | 2-[(4-chlorophenyl)imino]-3-{2-[2-nitro-4-(trifluoromethyl)anilino]ethyl}-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 650.08 |
| Molecular Formula: | C29 H27 Cl F3 N5 O5 S |
| Smiles: | CCCOc1ccc(cc1)NC(C1CC(N(CCNc2ccc(cc2[N+]([O-])=O)C(F)(F)F)/C(=N/c2ccc(cc2)[Cl])S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9734 |
| logD: | 6.9733 |
| logSw: | -6.3952 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.265 |
| InChI Key: | GIVPMLOINZVDMO-VWLOTQADSA-N |