6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2050-0408 |
| Compound Name: | 6-(4-tert-butylphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)C(C)(C)C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8412 |
| logD: | 6.8412 |
| logSw: | -5.8463 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | UXESDGGMAMNBOQ-NRFANRHFSA-N |