N-(2,6-dimethylphenyl)-2-[4-(prop-2-ynoyl)piperazin-1-yl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[4-(prop-2-ynoyl)piperazin-1-yl]acetamide
N-(2,6-dimethylphenyl)-2-[4-(prop-2-ynoyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | T001-1520 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-[4-(prop-2-ynoyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C17 H21 N3 O2 |
| Smiles: | Cc1cccc(C)c1NC(CN1CCN(CC1)C(C#C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4894 |
| logD: | 1.4893 |
| logSw: | -2.1151 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.925 |
| InChI Key: | YHYQCBPCAAUJMP-UHFFFAOYSA-N |