[3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Chemical Structure Depiction of
[3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
[3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Compound characteristics
| Compound ID: | 4896-5226 |
| Compound Name: | [3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Smiles: | CCCCCCCSc1nc2c(c3ccccc3N=C(C(c3ccccc3)=O)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 6.036 |
| logD: | 6.036 |
| logSw: | -5.4415 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.348 |
| InChI Key: | VHXPYJUXPLTQKH-UHFFFAOYSA-N |