N-butyl-N'-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea
Chemical Structure Depiction of
N-butyl-N'-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea
N-butyl-N'-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea
Compound characteristics
| Compound ID: | 0330-0168 |
| Compound Name: | N-butyl-N'-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea |
| Molecular Weight: | 410.68 |
| Molecular Formula: | C15 H18 Cl3 N3 O4 |
| Smiles: | CCCCNC(NC(CC(c1ccc(cc1)[N+]([O-])=O)=O)C([Cl])([Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8239 |
| logD: | 3.8237 |
| logSw: | -4.3815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.558 |
| InChI Key: | MGQBJJPGRYGEFR-ZDUSSCGKSA-N |