N-(4-methylpyridin-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-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(4-methylpyridin-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: | 6623-1266 |
| Compound Name: | N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | Cc1ccnc(c1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4502 |
| logD: | 3.45 |
| logSw: | -3.7394 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.721 |
| InChI Key: | AVMVMDOQEQFVRB-UHFFFAOYSA-N |