ethyl 4-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0128 |
| Compound Name: | ethyl 4-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 362.85 |
| Molecular Formula: | C19 H23 Cl N2 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2ccc(C)cc2[Cl])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9882 |
| logD: | 3.9875 |
| logSw: | -4.104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.153 |
| InChI Key: | IELCSTFCLVBPSP-UHFFFAOYSA-N |