N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)but-2-ynamide
Chemical Structure Depiction of
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)but-2-ynamide
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)but-2-ynamide
Compound characteristics
| Compound ID: | T001-2180 |
| Compound Name: | N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)but-2-ynamide |
| Molecular Weight: | 237.32 |
| Molecular Formula: | C11 H15 N3 O S |
| Smiles: | CC#CC(NCCSCc1c(C)[nH]cn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3669 |
| logD: | 1.0159 |
| logSw: | -1.9596 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.222 |
| InChI Key: | NUSXJJDQINOCOK-UHFFFAOYSA-N |