4-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-9192 |
| Compound Name: | 4-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C16 H10 Cl2 N6 O2 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(c(c3)[Cl])[Cl])o2)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6436 |
| logD: | 2.2007 |
| logSw: | -4.1357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.468 |
| InChI Key: | FSMXTXYEMXAQIB-UHFFFAOYSA-N |