2-chloro-5-[3-methyl-5-oxo-4-({3-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[3-methyl-5-oxo-4-({3-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[3-methyl-5-oxo-4-({3-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4331-0401 |
| Compound Name: | 2-chloro-5-[3-methyl-5-oxo-4-({3-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C23 H15 Cl N2 O5 S |
| Smiles: | CC1/C(=C\c2cccc(c2)OC(c2cccs2)=O)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7104 |
| logD: | 0.9074 |
| logSw: | -4.7094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.391 |
| InChI Key: | HPKQVMDTCNUSQC-UHFFFAOYSA-N |