N-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(2-methoxyphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5471-0018 |
| Compound Name: | N-(2-methoxyphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | COc1ccccc1NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6767 |
| logD: | 3.6766 |
| logSw: | -4.1085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.039 |
| InChI Key: | XPXZIUBCLHZLPV-UHFFFAOYSA-N |