N-(3-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-9259 |
| Compound Name: | N-(3-bromophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 430.32 |
| Molecular Formula: | C18 H16 Br N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3687 |
| logD: | 3.3561 |
| logSw: | -3.4364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.886 |
| InChI Key: | ATFYCSZULDPJLJ-UHFFFAOYSA-N |