1-{3-[(prop-2-en-1-yl)sulfanyl]-6-(2,3,4-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{3-[(prop-2-en-1-yl)sulfanyl]-6-(2,3,4-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{3-[(prop-2-en-1-yl)sulfanyl]-6-(2,3,4-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-5137 |
| Compound Name: | 1-{3-[(prop-2-en-1-yl)sulfanyl]-6-(2,3,4-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | CC(N1C(c2ccc(c(c2OC)OC)OC)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7238 |
| logD: | 3.7238 |
| logSw: | -4.141 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.704 |
| InChI Key: | BVTUZVOETISKDV-QHCPKHFHSA-N |