3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-phenylethenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-phenylethenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-phenylethenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0814 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-phenylethenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 458.97 |
| Molecular Formula: | C25 H19 Cl N4 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(/C=C/c3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1752 |
| logD: | 6.1752 |
| logSw: | -6.4733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.374 |
| InChI Key: | MTFDJDLQYZTWAQ-QFIPXVFZSA-N |