6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2746 |
| Compound Name: | 6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 424.61 |
| Molecular Formula: | C24 H32 N4 O S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(C3CC=C(C)CC3C)O2)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4441 |
| logD: | 7.4441 |
| logSw: | -5.8163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.49 |
| InChI Key: | ARMZDRAAYLROFH-UHFFFAOYSA-N |