N-tert-butyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-tert-butyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-4717 |
| Compound Name: | N-tert-butyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | CC(C)(C)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.334 |
| logD: | 3.3339 |
| logSw: | -3.4976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.524 |
| InChI Key: | RGUFCKOVFFZZGA-UHFFFAOYSA-N |