methyl 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate
methyl 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate
Compound characteristics
| Compound ID: | 6848-0006 |
| Compound Name: | methyl 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate |
| Molecular Weight: | 490.97 |
| Molecular Formula: | C25 H19 Cl N4 O3 S |
| Smiles: | COC(c1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5209 |
| logD: | 5.5209 |
| logSw: | -6.0716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.2 |
| InChI Key: | QBPVFYXWJPERSK-QFIPXVFZSA-N |