1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4082 |
| Compound Name: | 1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 505 |
| Molecular Formula: | C25 H21 Cl N6 O2 S |
| Smiles: | CC(N1C(c2c(C)nn(c3ccccc3)c2[Cl])Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2239 |
| logD: | 4.2239 |
| logSw: | -4.592 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.439 |
| InChI Key: | FCZADYOVHFVDBN-DEOSSOPVSA-N |