N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | T002-4618 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CC#CC(N1CCC(CC1)CNC(CSc1ccncc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1277 |
| logD: | 1.0761 |
| logSw: | -1.8056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.259 |
| InChI Key: | MVDNGAZPZCCCKH-UHFFFAOYSA-N |