3-{[(4-methylphenyl)methyl]sulfanyl}-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-methylphenyl)methyl]sulfanyl}-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-methylphenyl)methyl]sulfanyl}-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4461 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]sulfanyl}-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4cc(c(cc4OC)OC)OC)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6801 |
| logD: | 4.6801 |
| logSw: | -4.4989 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.917 |
| InChI Key: | KXIZNNVISZONEB-VWLOTQADSA-N |