N-{3-(benzylsulfanyl)-1-[2-(but-2-en-1-ylidene)hydrazinyl]-1-oxopropan-2-yl}-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{3-(benzylsulfanyl)-1-[2-(but-2-en-1-ylidene)hydrazinyl]-1-oxopropan-2-yl}-3,5-dinitrobenzamide
N-{3-(benzylsulfanyl)-1-[2-(but-2-en-1-ylidene)hydrazinyl]-1-oxopropan-2-yl}-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8003-8672 |
| Compound Name: | N-{3-(benzylsulfanyl)-1-[2-(but-2-en-1-ylidene)hydrazinyl]-1-oxopropan-2-yl}-3,5-dinitrobenzamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C21 H21 N5 O6 S |
| Smiles: | C/C=C/C=N/NC(C(CSCc1ccccc1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5453 |
| logD: | 3.5253 |
| logSw: | -3.8945 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.264 |
| InChI Key: | FMLNKBHMVMCFPL-IBGZPJMESA-N |