N-(1-phenylethyl)-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-(1-phenylethyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(1-phenylethyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6623-1270 |
| Compound Name: | N-(1-phenylethyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | CC(c1ccccc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8323 |
| logD: | 3.8323 |
| logSw: | -3.9674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.591 |
| InChI Key: | LDIVQUONBUTDFJ-HNNXBMFYSA-N |