6-(3-ethoxy-4-methoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-ethoxy-4-methoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-ethoxy-4-methoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0218 |
| Compound Name: | 6-(3-ethoxy-4-methoxyphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | CCOc1cc(ccc1OC)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(C)cc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0366 |
| logD: | 5.0366 |
| logSw: | -4.6309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.867 |
| InChI Key: | CLNFDRBSZZIQSE-VWLOTQADSA-N |