ethyl 4-({3-[ethyl(3-methylphenyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({3-[ethyl(3-methylphenyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({3-[ethyl(3-methylphenyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0228 |
| Compound Name: | ethyl 4-({3-[ethyl(3-methylphenyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | CCN(CCCNC(c1c(C)c(C(=O)OCC)[nH]c1C)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8034 |
| logD: | 3.7751 |
| logSw: | -3.9577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.218 |
| InChI Key: | XYROCYYXPXDVHP-UHFFFAOYSA-N |