ethyl 2,4-dimethyl-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamamido]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamamido]-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamamido]-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | D039-0090 |
| Compound Name: | ethyl 2,4-dimethyl-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamamido]-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C17 H25 N5 O3 S |
| Smiles: | CCCCCc1nnc(NC(Nc2c(C)c(C(=O)OCC)c(C)[nH]2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2594 |
| logD: | 4.2582 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.186 |
| InChI Key: | FHNOUPCQGLAIDD-UHFFFAOYSA-N |