ethyl 4-chloro-1-{4-[(3,3-diphenylpropyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-chloro-1-{4-[(3,3-diphenylpropyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
ethyl 4-chloro-1-{4-[(3,3-diphenylpropyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V013-9450 |
| Compound Name: | ethyl 4-chloro-1-{4-[(3,3-diphenylpropyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 502.01 |
| Molecular Formula: | C29 H28 Cl N3 O3 |
| Smiles: | CCOC(c1c(c(C)n(c2ccc(cc2)C(NCCC(c2ccccc2)c2ccccc2)=O)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7778 |
| logD: | 5.7778 |
| logSw: | -6.1384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.587 |
| InChI Key: | SPLJWGMJJXDPQH-UHFFFAOYSA-N |