ethyl 4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0112 |
| Compound Name: | ethyl 4-[3-(3-chloro-2-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(Nc2cccc(c2C)[Cl])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0717 |
| logD: | 4.0709 |
| logSw: | -4.0973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.153 |
| InChI Key: | UDZXPZNWRVSGFJ-UHFFFAOYSA-N |