N-{3-(benzylsulfanyl)-1-[2-(butan-2-ylidene)hydrazinyl]-1-oxopropan-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-(benzylsulfanyl)-1-[2-(butan-2-ylidene)hydrazinyl]-1-oxopropan-2-yl}-4-nitrobenzamide
N-{3-(benzylsulfanyl)-1-[2-(butan-2-ylidene)hydrazinyl]-1-oxopropan-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8003-0607 |
| Compound Name: | N-{3-(benzylsulfanyl)-1-[2-(butan-2-ylidene)hydrazinyl]-1-oxopropan-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CCC(/C)=N/NC(C(CSCc1ccccc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.401 |
| logD: | 3.3994 |
| logSw: | -3.7306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.62 |
| InChI Key: | MHMQVDRXZUYJNS-IBGZPJMESA-N |