(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(phenyl)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)(phenyl)methanone
(3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(phenyl)methanone
Compound characteristics
| Compound ID: | 4896-4460 |
| Compound Name: | (3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)(phenyl)methanone |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C24 H17 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(C(c3ccccc3)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8875 |
| logD: | 4.8874 |
| logSw: | -5.1088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.765 |
| InChI Key: | QZJIXFWNUOKQJE-QHCPKHFHSA-N |