4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-9370 |
| Compound Name: | 4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 395.33 |
| Molecular Formula: | C17 H13 N7 O5 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3691 |
| logD: | 0.9263 |
| logSw: | -2.9668 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.092 |
| InChI Key: | TZPFZPCTXQXZPS-UHFFFAOYSA-N |