6-(4-methylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-methylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-methylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 1348-1529 |
| Compound Name: | 6-(4-methylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 340.45 |
| Molecular Formula: | C18 H20 N4 O S |
| Smiles: | [H]N1C(C2CCC(C)=CC2)Oc2c(c3ccccc13)nnc(n2)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.486 |
| logD: | 4.486 |
| logSw: | -4.3584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.49 |
| InChI Key: | KDHXGZJLEYCMTG-UHFFFAOYSA-N |