N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-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-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8008-7101 |
| Compound Name: | N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C17 H14 N6 O2 S2 |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(NC1=NC(CS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.744 |
| logD: | 1.6448 |
| logSw: | -2.3495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.794 |
| InChI Key: | BAAGCAKMYOSBRF-UHFFFAOYSA-N |