6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3664 |
| Compound Name: | 6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 448.63 |
| Molecular Formula: | C26 H32 N4 O S |
| Smiles: | CC1CC(CCC=C(C)C)=CCC1C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9375 |
| logD: | 6.9375 |
| logSw: | -5.8526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.49 |
| InChI Key: | VFNQPQLDBNDLTA-UHFFFAOYSA-N |