ethyl 4-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0145 |
| Compound Name: | ethyl 4-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C21 H28 N2 O3 |
| Smiles: | CCc1cccc(C)c1NC(CCc1c(C)c(C(=O)OCC)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.933 |
| logD: | 3.933 |
| logSw: | -3.9132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.456 |
| InChI Key: | KQTSFYSVCGIYLS-UHFFFAOYSA-N |