5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8017-6224 |
| Compound Name: | 5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 365.31 |
| Molecular Formula: | C16 H11 N7 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3804 |
| logD: | 0.9375 |
| logSw: | -2.7388 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.849 |
| InChI Key: | JICSPTLUWOCIQH-UHFFFAOYSA-N |