[3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](2-methoxyphenyl)methanone
Chemical Structure Depiction of
[3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](2-methoxyphenyl)methanone
[3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](2-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | 4896-5307 |
| Compound Name: | [3-(heptylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](2-methoxyphenyl)methanone |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CCCCCCCSc1nc2c(c3ccccc3N=C(C(c3ccccc3OC)=O)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.9524 |
| logD: | 5.9524 |
| logSw: | -5.4116 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.978 |
| InChI Key: | FIMPVZPKYJJXQN-UHFFFAOYSA-N |