10-bromo-3-(pentylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(pentylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(pentylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-1011 |
| Compound Name: | 10-bromo-3-(pentylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 463.42 |
| Molecular Formula: | C19 H19 Br N4 O S2 |
| Smiles: | CCCCCSc1nc2c(c3cc(ccc3NC(c3ccsc3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3443 |
| logD: | 6.3443 |
| logSw: | -5.5459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.316 |
| InChI Key: | NRAYSHLZRXHBOV-QGZVFWFLSA-N |