6-(4-chlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-chlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-chlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-7053 |
| Compound Name: | 6-(4-chlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)[Cl])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3221 |
| logD: | 6.3221 |
| logSw: | -6.3279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | OLIROCKGWMYSEO-IBGZPJMESA-N |