1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-4981 |
| Compound Name: | 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | CCC(N1C(c2cc(cc(c2OC)OC)[Cl])Oc2c(c3ccccc13)nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8129 |
| logD: | 4.8129 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.991 |
| InChI Key: | GSYRLCLJZMQDAP-QFIPXVFZSA-N |