4-nitro-N-{2,2,2-trichloro-1-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]ethyl}benzamide
Chemical Structure Depiction of
4-nitro-N-{2,2,2-trichloro-1-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]ethyl}benzamide
4-nitro-N-{2,2,2-trichloro-1-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]ethyl}benzamide
Compound characteristics
| Compound ID: | 1611-2059 |
| Compound Name: | 4-nitro-N-{2,2,2-trichloro-1-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]ethyl}benzamide |
| Molecular Weight: | 414.71 |
| Molecular Formula: | C12 H10 Cl3 N3 O3 S2 |
| Smiles: | C1CSC(=N1)SC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.934 |
| logD: | 3.6786 |
| logSw: | -4.484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.652 |
| InChI Key: | BXVXVZJIFVVCCK-JTQLQIEISA-N |