3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6848-0369 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C21 H15 Cl N4 O S2 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nc2c(c3ccccc3NC(c3ccsc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.112 |
| logD: | 5.112 |
| logSw: | -5.5513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.044 |
| InChI Key: | GABHXAZPKQVVGN-IBGZPJMESA-N |