4-{[5-(2-bromo-4-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-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-9447 |
| Compound Name: | 4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 444.2 |
| Molecular Formula: | C16 H10 Br N7 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3[Br])[N+]([O-])=O)o2)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.209 |
| logD: | 1.7661 |
| logSw: | -3.6279 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.849 |
| InChI Key: | HNPRTACGJSEJAN-UHFFFAOYSA-N |