(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(4-methoxyphenyl)methanone
Chemical Structure Depiction of
(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(4-methoxyphenyl)methanone
(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | 4896-4492 |
| Compound Name: | (3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(4-methoxyphenyl)methanone |
| Molecular Weight: | 490.97 |
| Molecular Formula: | C25 H19 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1)C(C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9749 |
| logD: | 4.9748 |
| logSw: | -5.1303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.308 |
| InChI Key: | AMBRQMAZPADFQE-DEOSSOPVSA-N |