4-({[2-(azepan-1-yl)-5-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(azepan-1-yl)-5-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-({[2-(azepan-1-yl)-5-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-8755 |
| Compound Name: | 4-({[2-(azepan-1-yl)-5-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1cc(ccc1N1CCCCCC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1435 |
| logD: | 4.1435 |
| logSw: | -4.2228 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.611 |
| InChI Key: | XMLLJIHOGWMOSE-UHFFFAOYSA-N |