1-[6-(3-bromophenyl)-3-(butylsulfanyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(3-bromophenyl)-3-(butylsulfanyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(3-bromophenyl)-3-(butylsulfanyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0992 |
| Compound Name: | 1-[6-(3-bromophenyl)-3-(butylsulfanyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 499.43 |
| Molecular Formula: | C23 H23 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)ccc3N(C(c3cccc(c3)[Br])O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9128 |
| logD: | 5.9128 |
| logSw: | -5.4099 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | HHXHJHUASYSDEN-QFIPXVFZSA-N |