ethyl 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | D039-0093 |
| Compound Name: | ethyl 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C14 H19 N5 O3 S |
| Smiles: | CCc1nnc(NC(Nc2c(C)c(C(=O)OCC)c(C)[nH]2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7256 |
| logD: | 2.7244 |
| logSw: | -2.8823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.186 |
| InChI Key: | NHWQFRKABUZKMU-UHFFFAOYSA-N |