6-(4-methylcyclohex-3-en-1-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-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-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-methylcyclohex-3-en-1-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4373 |
| Compound Name: | 6-(4-methylcyclohex-3-en-1-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C25 H26 N4 O S |
| Smiles: | CC1CCC(CC=1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(C)cc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1158 |
| logD: | 6.1158 |
| logSw: | -5.6503 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.218 |
| InChI Key: | DMENWUIQWGEJBB-UHFFFAOYSA-N |