3-(butylsulfanyl)-6-(4-methylcyclohex-3-en-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(4-methylcyclohex-3-en-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(4-methylcyclohex-3-en-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1851 |
| Compound Name: | 3-(butylsulfanyl)-6-(4-methylcyclohex-3-en-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(C3CCC(C)=CC3)O2)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9037 |
| logD: | 5.9037 |
| logSw: | -5.5316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.49 |
| InChI Key: | BAZAGHRYZHBGOW-UHFFFAOYSA-N |