3-(benzylsulfanyl)-6-(3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-(3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-(3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3468 |
| Compound Name: | 3-(benzylsulfanyl)-6-(3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | COc1cccc(c1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8252 |
| logD: | 4.8252 |
| logSw: | -4.6774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.57 |
| InChI Key: | LWHOLWPETKAFKT-QFIPXVFZSA-N |