N-(3-chloro-2-methylphenyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
N-(3-chloro-2-methylphenyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G015-0699 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C20 H23 Cl N6 O S |
| Smiles: | CCN1CCN(CC1)c1nnc(n2cccc2C(Nc2cccc(c2C)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3558 |
| logD: | 3.4986 |
| logSw: | -4.3791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.804 |
| InChI Key: | YJSMQJUDWPINEG-UHFFFAOYSA-N |