ethyl 4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0113 |
| Compound Name: | ethyl 4-[3-(3-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)c(c2)[Cl])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6545 |
| logD: | 4.6539 |
| logSw: | -4.6885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.851 |
| InChI Key: | LFXZNMWABOLINU-UHFFFAOYSA-N |