N-(2-methylpropyl)-3-nitro-N-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3-nitro-N-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}benzamide
N-(2-methylpropyl)-3-nitro-N-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | V005-7330 |
| Compound Name: | N-(2-methylpropyl)-3-nitro-N-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}benzamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CC(C)CN(CC(Nc1nc(cs1)c1ccccc1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9383 |
| logD: | 4.9383 |
| logSw: | -4.6307 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.755 |
| InChI Key: | GMHBDVLCJFIQJO-UHFFFAOYSA-N |