3-{[(4-methylphenyl)methyl]sulfanyl}-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-methylphenyl)methyl]sulfanyl}-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-methylphenyl)methyl]sulfanyl}-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4320 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]sulfanyl}-6-(3,4,5-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(c(c4)OC)OC)OC)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9583 |
| logD: | 4.9583 |
| logSw: | -4.6401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.004 |
| InChI Key: | NODHRWWSLAWZEJ-VWLOTQADSA-N |