2-chloro-5-(5-{[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8016-9193 |
| Compound Name: | 2-chloro-5-(5-{[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 398.76 |
| Molecular Formula: | C17 H11 Cl N6 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6679 |
| logD: | -1.7624 |
| logSw: | -3.4569 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.876 |
| InChI Key: | APTWCZFXQQUWJY-UHFFFAOYSA-N |