6-(2-butoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2-butoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-butoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0018 |
| Compound Name: | 6-(2-butoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C28 H28 N4 O2 S |
| Smiles: | CCCCOc1ccccc1C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(C)cc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9202 |
| logD: | 6.9202 |
| logSw: | -5.8832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.53 |
| InChI Key: | XIYQQXGNNOAEDE-SANMLTNESA-N |